1-[[(2S)-2-(cyclopentyloxycarbonylamino)propanoyl]amino]ethylphosphonous acid

C11H21N2O5P — CID 22811622

IUPAC1-[[(2S)-2-(cyclopentyloxycarbonylamino)propanoyl]amino]ethylphosphonous acid
SMILESCC(NC(=O)[C@H](C)NC(=O)OC1CCCC1)P(O)O
InChIInChI=1S/C11H21N2O5P/c1-7(10(14)13-8(2)19(16)17)12-11(15)18-9-5-3-4-6-9/h7-9,16-17H,3-6H2,1-2H3,(H,12,15)(H,13,14)/t7-,8?/m0/s1
InChIKeyOMHMWNUYGPQWFS-JAMMHHFISA-N
MW292.27 g/mol
LogP0.80
Rot. Bonds5

About 1-[[(2S)-2-(cyclopentyloxycarbonylamino)propanoyl]amino]ethylphosphonous acid

1-[[(2S)-2-(cyclopentyloxycarbonylamino)propanoyl]amino]ethylphosphonous acid (PubChem CID 22811622) has the molecular formula C11H21N2O5P and a molecular weight of 292.27 g/mol. Its IUPAC name is 1-[[(2S)-2-(cyclopentyloxycarbonylamino)propanoyl]amino]ethylphosphonous acid.

Molecular Properties

Compound Name1-[[(2S)-2-(cyclopentyloxycarbonylamino)propanoyl]amino]ethylphosphonous acid
PubChem CID22811622
Molecular FormulaC11H21N2O5P
Molecular Weight292.27 g/mol
Exact Mass292.12
IUPAC Name1-[[(2S)-2-(cyclopentyloxycarbonylamino)propanoyl]amino]ethylphosphonous acid
SMILESCC(NC(=O)[C@H](C)NC(=O)OC1CCCC1)P(O)O
InChIInChI=1S/C11H21N2O5P/c1-7(10(14)13-8(2)19(16)17)12-11(15)18-9-5-3-4-6-9/h7-9,16-17H,3-6H2,1-2H3,(H,12,15)(H,13,14)/t7-,8?/m0/s1
InChIKeyOMHMWNUYGPQWFS-JAMMHHFISA-N
XLogP0.80
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.27
LogP ≤ 50.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

cyclopentyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate
CID 112738864
cyclobutyl N-(3-hydroxybutan-2-yl)carbamate
CID 156816485
cyclopentyl N-methylcarbamate
CID 23548767
cyclopentyl N-[(2S)-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 59880557
cyclohexyl N-(2-methylpropyl)carbamate
CID 123419142
(6-acetyloxycyclodecyl) acetate
CID 539578
cyclohexyl 2-(propan-2-ylamino)propanoate
CID 19362177
cyclohexyl N-[1-[(2-hydroxyoxolan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 22444801
1-[[(2R)-2-aminopropanoyl]amino]ethylphosphonous acid
CID 22811599
cyclopentyl N-ethylcarbamate
CID 54482890
cyclohexyl N-(methylamino)carbamate
CID 143392202
cycloheptadecyl acetate
CID 57215828

Frequently Asked Questions

What is the IUPAC name of 1-[[(2S)-2-(cyclopentyloxycarbonylamino)propanoyl]amino]ethylphosphonous acid?
The IUPAC name of 1-[[(2S)-2-(cyclopentyloxycarbonylamino)propanoyl]amino]ethylphosphonous acid (CID 22811622) is 1-[[(2S)-2-(cyclopentyloxycarbonylamino)propanoyl]amino]ethylphosphonous acid.
What is the SMILES notation for 1-[[(2S)-2-(cyclopentyloxycarbonylamino)propanoyl]amino]ethylphosphonous acid?
The canonical SMILES for 1-[[(2S)-2-(cyclopentyloxycarbonylamino)propanoyl]amino]ethylphosphonous acid is CC(NC(=O)[C@H](C)NC(=O)OC1CCCC1)P(O)O.
What is the InChIKey of 1-[[(2S)-2-(cyclopentyloxycarbonylamino)propanoyl]amino]ethylphosphonous acid?
The InChIKey is OMHMWNUYGPQWFS-JAMMHHFISA-N. The full InChI is InChI=1S/C11H21N2O5P/c1-7(10(14)13-8(2)19(16)17)12-11(15)18-9-5-3-4-6-9/h7-9,16-17H,3-6H2,1-2H3,(H,12,15)(H,13,14)/t7-,8?/m0/s1.
What are the key properties of 1-[[(2S)-2-(cyclopentyloxycarbonylamino)propanoyl]amino]ethylphosphonous acid?
1-[[(2S)-2-(cyclopentyloxycarbonylamino)propanoyl]amino]ethylphosphonous acid has a molecular weight of 292.27 g/mol, XLogP of 0.80, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2S)-2-(cyclopentyloxycarbonylamino)propanoyl]amino]ethylphosphonous acid is sourced from PubChem (CID 22811622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).