lithium;hydride;3-(1-methylcyclopentyl)-2-(pyrrolidine-1-carbonylamino)propanoic acid

C14H25LiN2O3 — CID 173484144

IUPAClithium;hydride;3-(1-methylcyclopentyl)-2-(pyrrolidine-1-carbonylamino)propanoic acid
SMILESCC1(CC(NC(=O)N2CCCC2)C(=O)O)CCCC1.[H-].[Li+]
InChIInChI=1S/C14H24N2O3.Li.H/c1-14(6-2-3-7-14)10-11(12(17)18)15-13(19)16-8-4-5-9-16;;/h11H,2-10H2,1H3,(H,15,19)(H,17,18);;/q;+1;-1
InChIKeyARQOODNTESGFQK-UHFFFAOYSA-N
MW276.31 g/mol
LogP-0.67
Rot. Bonds4

About lithium;hydride;3-(1-methylcyclopentyl)-2-(pyrrolidine-1-carbonylamino)propanoic acid

lithium;hydride;3-(1-methylcyclopentyl)-2-(pyrrolidine-1-carbonylamino)propanoic acid (PubChem CID 173484144) has the molecular formula C14H25LiN2O3 and a molecular weight of 276.31 g/mol. Its IUPAC name is lithium;hydride;3-(1-methylcyclopentyl)-2-(pyrrolidine-1-carbonylamino)propanoic acid.

Molecular Properties

Compound Namelithium;hydride;3-(1-methylcyclopentyl)-2-(pyrrolidine-1-carbonylamino)propanoic acid
PubChem CID173484144
Molecular FormulaC14H25LiN2O3
Molecular Weight276.31 g/mol
Exact Mass276.20
IUPAC Namelithium;hydride;3-(1-methylcyclopentyl)-2-(pyrrolidine-1-carbonylamino)propanoic acid
SMILESCC1(CC(NC(=O)N2CCCC2)C(=O)O)CCCC1.[H-].[Li+]
InChIInChI=1S/C14H24N2O3.Li.H/c1-14(6-2-3-7-14)10-11(12(17)18)15-13(19)16-8-4-5-9-16;;/h11H,2-10H2,1H3,(H,15,19)(H,17,18);;/q;+1;-1
InChIKeyARQOODNTESGFQK-UHFFFAOYSA-N
XLogP-0.67
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

lithium;2-(diethylcarbamoylamino)-3-(1-methylcyclopentyl)propanoic acid;hydride
CID 173484127
2-(methylamino)-3-(1-methylcyclopentyl)propanoic acid
CID 67554583
2-(2,2-dimethylpropanoylamino)-3-(1-methylcyclopentyl)propanoic acid
CID 174649408
3-hydroxy-2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 81115681
(2S)-2-[(4-acetyl-1,4-diazepane-1-carbonyl)amino]-3-hydroxypropanoic acid
CID 55003085
2-(azepane-1-carbonylamino)-3-methoxypropanoic acid
CID 81077084
(2R)-4-hydroxy-2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 114005762
2-[(4,4-dimethylazepane-1-carbonyl)amino]hexanoic acid
CID 65282412
(2R)-2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 81115379
2-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]pentanoic acid
CID 63162284
(2S)-2-[(4-hydroxy-4-methylazepane-1-carbonyl)amino]-4-methylpentanoic acid
CID 107405656
(2S)-4-hydroxy-2-[(3-hydroxy-3-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 107829254

Frequently Asked Questions

What is the IUPAC name of lithium;hydride;3-(1-methylcyclopentyl)-2-(pyrrolidine-1-carbonylamino)propanoic acid?
The IUPAC name of lithium;hydride;3-(1-methylcyclopentyl)-2-(pyrrolidine-1-carbonylamino)propanoic acid (CID 173484144) is lithium;hydride;3-(1-methylcyclopentyl)-2-(pyrrolidine-1-carbonylamino)propanoic acid.
What is the SMILES notation for lithium;hydride;3-(1-methylcyclopentyl)-2-(pyrrolidine-1-carbonylamino)propanoic acid?
The canonical SMILES for lithium;hydride;3-(1-methylcyclopentyl)-2-(pyrrolidine-1-carbonylamino)propanoic acid is CC1(CC(NC(=O)N2CCCC2)C(=O)O)CCCC1.[H-].[Li+].
What is the InChIKey of lithium;hydride;3-(1-methylcyclopentyl)-2-(pyrrolidine-1-carbonylamino)propanoic acid?
The InChIKey is ARQOODNTESGFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3.Li.H/c1-14(6-2-3-7-14)10-11(12(17)18)15-13(19)16-8-4-5-9-16;;/h11H,2-10H2,1H3,(H,15,19)(H,17,18);;/q;+1;-1.
What are the key properties of lithium;hydride;3-(1-methylcyclopentyl)-2-(pyrrolidine-1-carbonylamino)propanoic acid?
lithium;hydride;3-(1-methylcyclopentyl)-2-(pyrrolidine-1-carbonylamino)propanoic acid has a molecular weight of 276.31 g/mol, XLogP of -0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;hydride;3-(1-methylcyclopentyl)-2-(pyrrolidine-1-carbonylamino)propanoic acid is sourced from PubChem (CID 173484144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).