CID 175690513

C10H21NNaO6P+ — CID 175690513

IUPAC—
SMILESCC(C)(C)OC(=O)NC[C@H](O)[P+](=O)CC(O)CO.[Na]
InChIInChI=1S/C10H20NO6P.Na/c1-10(2,3)17-9(15)11-4-8(14)18(16)6-7(13)5-12;/h7-8,12-14H,4-6H2,1-3H3;/p+1/t7?,8-;/m1./s1
InChIKeyBDZXANRDTSMEKM-LTTWWRRRSA-O
MW305.24 g/mol
LogP-0.37
Rot. Bonds6

About CID 175690513

CID 175690513 (PubChem CID 175690513) has the molecular formula C10H21NNaO6P+ and a molecular weight of 305.24 g/mol.

Molecular Properties

Compound NameCID 175690513
PubChem CID175690513
Molecular FormulaC10H21NNaO6P+
Molecular Weight305.24 g/mol
Exact Mass305.10
IUPAC Name—
SMILESCC(C)(C)OC(=O)NC[C@H](O)[P+](=O)CC(O)CO.[Na]
InChIInChI=1S/C10H20NO6P.Na/c1-10(2,3)17-9(15)11-4-8(14)18(16)6-7(13)5-12;/h7-8,12-14H,4-6H2,1-3H3;/p+1/t7?,8-;/m1./s1
InChIKeyBDZXANRDTSMEKM-LTTWWRRRSA-O
XLogP-0.37
TPSA116.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.24
LogP ≤ 5-0.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze CID 175690513 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[(2S)-2,3-dihydroxypropyl]carbamate
CID 10241638
tert-butyl N-[(4S)-4,5-dihydroxypentyl]carbamate
CID 89422751
tert-butyl N-[(3R)-3,4-dihydroxybutyl]carbamate
CID 10330583
tert-butyl N-[(2S)-2-hydroxybutyl]carbamate
CID 58718643
(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 10899749
tert-butyl N-(2-hydroxyhexyl)carbamate
CID 130004068
tert-butyl N-[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate;2-methylprop-2-enoic acid
CID 158486538
tert-butyl N-(2-hydroxy-2-sulfanylethyl)carbamate
CID 155160397
2-hydroxy-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanedioic acid
CID 119053739
tert-butyl N-[(2S)-4-amino-2-hydroxy-4-oxobutyl]carbamate
CID 130640432
(2R)-2,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 18631841
tert-butyl N-[3-(tert-butylamino)-2-hydroxypropyl]carbamate
CID 84705743

Frequently Asked Questions

What is the IUPAC name of CID 175690513?
The IUPAC name of CID 175690513 (CID 175690513) is not available.
What is the SMILES notation for CID 175690513?
The canonical SMILES for CID 175690513 is CC(C)(C)OC(=O)NC[C@H](O)[P+](=O)CC(O)CO.[Na].
What is the InChIKey of CID 175690513?
The InChIKey is BDZXANRDTSMEKM-LTTWWRRRSA-O. The full InChI is InChI=1S/C10H20NO6P.Na/c1-10(2,3)17-9(15)11-4-8(14)18(16)6-7(13)5-12;/h7-8,12-14H,4-6H2,1-3H3;/p+1/t7?,8-;/m1./s1.
What are the key properties of CID 175690513?
CID 175690513 has a molecular weight of 305.24 g/mol, XLogP of -0.37, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175690513 is sourced from PubChem (CID 175690513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).