(2S)-1-[2-[(1-carboxy-2-hydroxyethyl)amino]-2-oxoacetyl]piperidine-2-carboxylic acid

C11H16N2O7 — CID 66262675

IUPAC(2S)-1-[2-[(1-carboxy-2-hydroxyethyl)amino]-2-oxoacetyl]piperidine-2-carboxylic acid
SMILESO=C(NC(CO)C(=O)O)C(=O)N1CCCC[C@H]1C(=O)O
InChIInChI=1S/C11H16N2O7/c14-5-6(10(17)18)12-8(15)9(16)13-4-2-1-3-7(13)11(19)20/h6-7,14H,1-5H2,(H,12,15)(H,17,18)(H,19,20)/t6?,7-/m0/s1
InChIKeyRFVADSOTTQQGME-MLWJPKLSSA-N
MW288.26 g/mol
LogP-1.99
Rot. Bonds4

About (2S)-1-[2-[(1-carboxy-2-hydroxyethyl)amino]-2-oxoacetyl]piperidine-2-carboxylic acid

(2S)-1-[2-[(1-carboxy-2-hydroxyethyl)amino]-2-oxoacetyl]piperidine-2-carboxylic acid (PubChem CID 66262675) has the molecular formula C11H16N2O7 and a molecular weight of 288.26 g/mol. Its IUPAC name is (2S)-1-[2-[(1-carboxy-2-hydroxyethyl)amino]-2-oxoacetyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[2-[(1-carboxy-2-hydroxyethyl)amino]-2-oxoacetyl]piperidine-2-carboxylic acid
PubChem CID66262675
Molecular FormulaC11H16N2O7
Molecular Weight288.26 g/mol
Exact Mass288.10
IUPAC Name(2S)-1-[2-[(1-carboxy-2-hydroxyethyl)amino]-2-oxoacetyl]piperidine-2-carboxylic acid
SMILESO=C(NC(CO)C(=O)O)C(=O)N1CCCC[C@H]1C(=O)O
InChIInChI=1S/C11H16N2O7/c14-5-6(10(17)18)12-8(15)9(16)13-4-2-1-3-7(13)11(19)20/h6-7,14H,1-5H2,(H,12,15)(H,17,18)(H,19,20)/t6?,7-/m0/s1
InChIKeyRFVADSOTTQQGME-MLWJPKLSSA-N
XLogP-1.99
TPSA144.24 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 5-1.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-[2-(1-carboxypropylamino)-2-oxoacetyl]piperidine-2-carboxylic acid
CID 79034631
(2R)-1-[2-[(1-carboxy-2-methoxyethyl)amino]-2-oxoacetyl]piperidine-2-carboxylic acid
CID 81084279
(2R)-1-[2-(1-carboxypropan-2-ylamino)-2-oxoacetyl]piperidine-2-carboxylic acid
CID 79034849
(2R)-1-[2-(2-carboxyethylamino)-2-oxoacetyl]piperidine-2-carboxylic acid
CID 79034718
(2R)-2-[[1-(2,2-dimethylpropanoyl)pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoic acid
CID 80749163
(2R)-1-[(2S)-2-[[(1S)-1-carboxy-3-methylbutyl]carbamoylamino]-3-hydroxypropanoyl]pyrrolidine-2-carboxylic acid
CID 118874135
1-[2-[[2-[(2-amino-3-carboxypropanoyl)amino]-3-carboxypropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carboxylic acid
CID 18248015
1-[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]pyrrolidine-2-carboxylic acid
CID 18743174
2-[[2-[[1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoic acid
CID 18490553
(2S)-3-hydroxy-2-[[(2S)-1-hydroxypyrrolidine-2-carbonyl]amino]propanoic acid
CID 170172588
1-[1-hydroxypropan-2-yl(methyl)carbamoyl]azocane-2-carboxylic acid
CID 114239873
(2R)-1-[2-[(1-carboxycyclobutyl)amino]-2-oxoacetyl]piperidine-2-carboxylic acid
CID 81155833

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-[(1-carboxy-2-hydroxyethyl)amino]-2-oxoacetyl]piperidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[2-[(1-carboxy-2-hydroxyethyl)amino]-2-oxoacetyl]piperidine-2-carboxylic acid (CID 66262675) is (2S)-1-[2-[(1-carboxy-2-hydroxyethyl)amino]-2-oxoacetyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[2-[(1-carboxy-2-hydroxyethyl)amino]-2-oxoacetyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[2-[(1-carboxy-2-hydroxyethyl)amino]-2-oxoacetyl]piperidine-2-carboxylic acid is O=C(NC(CO)C(=O)O)C(=O)N1CCCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-[2-[(1-carboxy-2-hydroxyethyl)amino]-2-oxoacetyl]piperidine-2-carboxylic acid?
The InChIKey is RFVADSOTTQQGME-MLWJPKLSSA-N. The full InChI is InChI=1S/C11H16N2O7/c14-5-6(10(17)18)12-8(15)9(16)13-4-2-1-3-7(13)11(19)20/h6-7,14H,1-5H2,(H,12,15)(H,17,18)(H,19,20)/t6?,7-/m0/s1.
What are the key properties of (2S)-1-[2-[(1-carboxy-2-hydroxyethyl)amino]-2-oxoacetyl]piperidine-2-carboxylic acid?
(2S)-1-[2-[(1-carboxy-2-hydroxyethyl)amino]-2-oxoacetyl]piperidine-2-carboxylic acid has a molecular weight of 288.26 g/mol, XLogP of -1.99, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-[(1-carboxy-2-hydroxyethyl)amino]-2-oxoacetyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 66262675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).