1-(2-amino-3-carboxypropanoyl)piperidine-3-carboxylic acid

C10H16N2O5 — CID 64897100

IUPAC1-(2-amino-3-carboxypropanoyl)piperidine-3-carboxylic acid
SMILESNC(CC(=O)O)C(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C10H16N2O5/c11-7(4-8(13)14)9(15)12-3-1-2-6(5-12)10(16)17/h6-7H,1-5,11H2,(H,13,14)(H,16,17)
InChIKeyXBPAVEONNZIBOY-UHFFFAOYSA-N
MW244.25 g/mol
LogP-0.89
Rot. Bonds4

About 1-(2-amino-3-carboxypropanoyl)piperidine-3-carboxylic acid

1-(2-amino-3-carboxypropanoyl)piperidine-3-carboxylic acid (PubChem CID 64897100) has the molecular formula C10H16N2O5 and a molecular weight of 244.25 g/mol. Its IUPAC name is 1-(2-amino-3-carboxypropanoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-amino-3-carboxypropanoyl)piperidine-3-carboxylic acid
PubChem CID64897100
Molecular FormulaC10H16N2O5
Molecular Weight244.25 g/mol
Exact Mass244.11
IUPAC Name1-(2-amino-3-carboxypropanoyl)piperidine-3-carboxylic acid
SMILESNC(CC(=O)O)C(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C10H16N2O5/c11-7(4-8(13)14)9(15)12-3-1-2-6(5-12)10(16)17/h6-7H,1-5,11H2,(H,13,14)(H,16,17)
InChIKeyXBPAVEONNZIBOY-UHFFFAOYSA-N
XLogP-0.89
TPSA120.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R)-2-amino-4-methylsulfanylbutanoyl]piperidine-3-carboxylic acid
CID 104907990
1-(2-amino-4-methoxybutanoyl)piperidine-3-carboxylic acid
CID 62475203
(3S)-1-[(2S)-2-amino-4-methylsulfanylbutanoyl]piperidine-3-carboxylic acid
CID 81125404
1-[(2R)-2-aminopentanoyl]pyrrolidine-3-carboxylic acid
CID 103848580
(3S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]piperidine-3-carboxylic acid
CID 81121192
(3R)-1-[2-amino-3-(4-hydroxyphenyl)propanoyl]piperidine-3-carboxylic acid
CID 103870220
1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidine-3-carboxylic acid
CID 61157543
1-[(2S,3S)-2-amino-3-methylpentanoyl]piperidine-3-carboxylic acid
CID 61157542
1-[(2R)-2-hydroxypropanoyl]piperidine-3-carboxylic acid
CID 130649320
3-amino-4-oxo-4-(4-pyrrolidin-1-ylpiperidin-1-yl)butanoic acid
CID 64895343
(3S)-1-(2-methylbutanoyl)piperidine-3-carboxylic acid
CID 81120837
(3R)-1-[2-(carbamoylamino)propanoyl]piperidine-3-carboxylic acid
CID 81118974

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-carboxypropanoyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(2-amino-3-carboxypropanoyl)piperidine-3-carboxylic acid (CID 64897100) is 1-(2-amino-3-carboxypropanoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-amino-3-carboxypropanoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-amino-3-carboxypropanoyl)piperidine-3-carboxylic acid is NC(CC(=O)O)C(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-(2-amino-3-carboxypropanoyl)piperidine-3-carboxylic acid?
The InChIKey is XBPAVEONNZIBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O5/c11-7(4-8(13)14)9(15)12-3-1-2-6(5-12)10(16)17/h6-7H,1-5,11H2,(H,13,14)(H,16,17).
What are the key properties of 1-(2-amino-3-carboxypropanoyl)piperidine-3-carboxylic acid?
1-(2-amino-3-carboxypropanoyl)piperidine-3-carboxylic acid has a molecular weight of 244.25 g/mol, XLogP of -0.89, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-carboxypropanoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 64897100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).