[1-[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]pyrrolidin-2-yl]phosphonous acid

C15H21N2O5P — CID 22811652

IUPAC[1-[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]pyrrolidin-2-yl]phosphonous acid
SMILESC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCCC1P(O)O
InChIInChI=1S/C15H21N2O5P/c1-11(14(18)17-9-5-8-13(17)23(20)21)16-15(19)22-10-12-6-3-2-4-7-12/h2-4,6-7,11,13,20-21H,5,8-10H2,1H3,(H,16,19)/t11-,13?/m0/s1
InChIKeyLBSJWXZRLABENO-AMGKYWFPSA-N
MW340.32 g/mol
LogP1.55
Rot. Bonds5

About [1-[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]pyrrolidin-2-yl]phosphonous acid

[1-[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]pyrrolidin-2-yl]phosphonous acid (PubChem CID 22811652) has the molecular formula C15H21N2O5P and a molecular weight of 340.32 g/mol. Its IUPAC name is [1-[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]pyrrolidin-2-yl]phosphonous acid.

Molecular Properties

Compound Name[1-[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]pyrrolidin-2-yl]phosphonous acid
PubChem CID22811652
Molecular FormulaC15H21N2O5P
Molecular Weight340.32 g/mol
Exact Mass340.12
IUPAC Name[1-[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]pyrrolidin-2-yl]phosphonous acid
SMILESC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCCC1P(O)O
InChIInChI=1S/C15H21N2O5P/c1-11(14(18)17-9-5-8-13(17)23(20)21)16-15(19)22-10-12-6-3-2-4-7-12/h2-4,6-7,11,13,20-21H,5,8-10H2,1H3,(H,16,19)/t11-,13?/m0/s1
InChIKeyLBSJWXZRLABENO-AMGKYWFPSA-N
XLogP1.55
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.32
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-[(2R)-2-(phenylmethoxycarbonylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 86308236
methyl (2R)-1-[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]pyrrolidine-2-carboxylate
CID 175816508
benzyl N-[(2R)-1-[(2S)-2-formylpyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 131632935
(2R)-1-[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]pyrrolidine-2-carboxylate
CID 6992428
(2S)-1-[(2S)-1-[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 18611257
benzyl N-[(2S)-1-oxo-1-(2-pyridin-4-ylpyrrolidin-1-yl)propan-2-yl]carbamate
CID 44756126
benzyl N-[(2S)-1-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 25496967
benzyl N-[1-oxo-1-[2-[phenoxy(phenylsulfanyl)phosphoryl]pyrrolidin-1-yl]propan-2-yl]carbamate
CID 142064763
(2S)-3-phenyl-2-[[(2S)-1-[(2S)-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]propanoic acid
CID 53249330
benzyl N-[(2R)-1-[2-[(1R)-1-hydroxy-2-methylpropyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 67947010
benzyl (2S)-1-[(2S)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 13389836
ethyl 2-[(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]piperidin-2-yl]acetate
CID 10907124

Frequently Asked Questions

What is the IUPAC name of [1-[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]pyrrolidin-2-yl]phosphonous acid?
The IUPAC name of [1-[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]pyrrolidin-2-yl]phosphonous acid (CID 22811652) is [1-[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]pyrrolidin-2-yl]phosphonous acid.
What is the SMILES notation for [1-[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]pyrrolidin-2-yl]phosphonous acid?
The canonical SMILES for [1-[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]pyrrolidin-2-yl]phosphonous acid is C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCCC1P(O)O.
What is the InChIKey of [1-[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]pyrrolidin-2-yl]phosphonous acid?
The InChIKey is LBSJWXZRLABENO-AMGKYWFPSA-N. The full InChI is InChI=1S/C15H21N2O5P/c1-11(14(18)17-9-5-8-13(17)23(20)21)16-15(19)22-10-12-6-3-2-4-7-12/h2-4,6-7,11,13,20-21H,5,8-10H2,1H3,(H,16,19)/t11-,13?/m0/s1.
What are the key properties of [1-[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]pyrrolidin-2-yl]phosphonous acid?
[1-[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]pyrrolidin-2-yl]phosphonous acid has a molecular weight of 340.32 g/mol, XLogP of 1.55, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]pyrrolidin-2-yl]phosphonous acid is sourced from PubChem (CID 22811652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).