dilithium;2-[[(2S)-2-[[oxido(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]propanoyl]amino]acetate

C14H18Li2N3O7P — CID 118731700

IUPACdilithium;2-[[(2S)-2-[[oxido(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]propanoyl]amino]acetate
SMILESC[C@H](NP(=O)([O-])CNC(=O)OCc1ccccc1)C(=O)NCC(=O)[O-].[Li+].[Li+]
InChIInChI=1S/C14H20N3O7P.2Li/c1-10(13(20)15-7-12(18)19)17-25(22,23)9-16-14(21)24-8-11-5-3-2-4-6-11;;/h2-6,10H,7-9H2,1H3,(H,15,20)(H,16,21)(H,18,19)(H2,17,22,23);;/q;2*+1/p-2/t10-;;/m0../s1
InChIKeyUGSMGYNPOYEWNI-XRIOVQLTSA-L
MW385.17 g/mol
LogP-7.72
Rot. Bonds9

About dilithium;2-[[(2S)-2-[[oxido(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]propanoyl]amino]acetate

dilithium;2-[[(2S)-2-[[oxido(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]propanoyl]amino]acetate (PubChem CID 118731700) has the molecular formula C14H18Li2N3O7P and a molecular weight of 385.17 g/mol. Its IUPAC name is dilithium;2-[[(2S)-2-[[oxido(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]propanoyl]amino]acetate.

Molecular Properties

Compound Namedilithium;2-[[(2S)-2-[[oxido(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]propanoyl]amino]acetate
PubChem CID118731700
Molecular FormulaC14H18Li2N3O7P
Molecular Weight385.17 g/mol
Exact Mass385.12
IUPAC Namedilithium;2-[[(2S)-2-[[oxido(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]propanoyl]amino]acetate
SMILESC[C@H](NP(=O)([O-])CNC(=O)OCc1ccccc1)C(=O)NCC(=O)[O-].[Li+].[Li+]
InChIInChI=1S/C14H20N3O7P.2Li/c1-10(13(20)15-7-12(18)19)17-25(22,23)9-16-14(21)24-8-11-5-3-2-4-6-11;;/h2-6,10H,7-9H2,1H3,(H,15,20)(H,16,21)(H,18,19)(H2,17,22,23);;/q;2*+1/p-2/t10-;;/m0../s1
InChIKeyUGSMGYNPOYEWNI-XRIOVQLTSA-L
XLogP-7.72
TPSA159.72 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.17
LogP ≤ 5-7.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

dilithium;2-[[(2S)-4-methyl-2-[[oxido(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]acetate
CID 71458968
dilithium;(2S)-2-[[(2S)-4-methyl-2-[[oxido(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]propanoate
CID 71458969
lithium [[(2S)-4-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]amino]-(phenylmethoxycarbonylaminomethyl)phosphinate
CID 118731679
dilithium;(2S)-4-methyl-2-[[(2S)-2-[[oxido(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]butanoyl]amino]pentanoate
CID 118731664
2-[[(2R)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]acetate
CID 7005168
lithium [[(2S)-4-methyl-1-oxo-1-(pentylamino)pentan-2-yl]amino]-(phenylmethoxycarbonylaminomethyl)phosphinate
CID 118731672
lithium [[(2S)-1-(3,3-dimethylbutylamino)-4-methyl-1-oxopentan-2-yl]amino]-(phenylmethoxycarbonylaminomethyl)phosphinate
CID 118731678
(2S)-4-methyl-2-[[(2S)-2-[[oxido(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]butanoyl]amino]pentanoate
CID 118987914
dilithium;(2S)-4,4-dimethyl-2-[[(2S)-4-methyl-2-[[oxido(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]pentanoate
CID 118731689
(2S)-3-methyl-2-[[(2S)-4-methyl-2-[[oxido(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]pentanoate
CID 175683412
(2S)-2-[[(2S)-4-methyl-2-[[oxido(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]hexanoate
CID 175683415
benzyl N-[(2S)-2-aminopropyl]carbamate
CID 45072682

Frequently Asked Questions

What is the IUPAC name of dilithium;2-[[(2S)-2-[[oxido(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]propanoyl]amino]acetate?
The IUPAC name of dilithium;2-[[(2S)-2-[[oxido(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]propanoyl]amino]acetate (CID 118731700) is dilithium;2-[[(2S)-2-[[oxido(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]propanoyl]amino]acetate.
What is the SMILES notation for dilithium;2-[[(2S)-2-[[oxido(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]propanoyl]amino]acetate?
The canonical SMILES for dilithium;2-[[(2S)-2-[[oxido(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]propanoyl]amino]acetate is C[C@H](NP(=O)([O-])CNC(=O)OCc1ccccc1)C(=O)NCC(=O)[O-].[Li+].[Li+].
What is the InChIKey of dilithium;2-[[(2S)-2-[[oxido(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]propanoyl]amino]acetate?
The InChIKey is UGSMGYNPOYEWNI-XRIOVQLTSA-L. The full InChI is InChI=1S/C14H20N3O7P.2Li/c1-10(13(20)15-7-12(18)19)17-25(22,23)9-16-14(21)24-8-11-5-3-2-4-6-11;;/h2-6,10H,7-9H2,1H3,(H,15,20)(H,16,21)(H,18,19)(H2,17,22,23);;/q;2*+1/p-2/t10-;;/m0../s1.
What are the key properties of dilithium;2-[[(2S)-2-[[oxido(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]propanoyl]amino]acetate?
dilithium;2-[[(2S)-2-[[oxido(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]propanoyl]amino]acetate has a molecular weight of 385.17 g/mol, XLogP of -7.72, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;2-[[(2S)-2-[[oxido(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]propanoyl]amino]acetate is sourced from PubChem (CID 118731700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).