2-amino-3-(3-carbamoylpiperidin-1-yl)propanoic acid

C9H17N3O3 — CID 65443827

IUPAC2-amino-3-(3-carbamoylpiperidin-1-yl)propanoic acid
SMILESNC(=O)C1CCCN(CC(N)C(=O)O)C1
InChIInChI=1S/C9H17N3O3/c10-7(9(14)15)5-12-3-1-2-6(4-12)8(11)13/h6-7H,1-5,10H2,(H2,11,13)(H,14,15)
InChIKeyOTYLKZGVKKCNKX-UHFFFAOYSA-N
MW215.25 g/mol
LogP-1.40
Rot. Bonds4

About 2-amino-3-(3-carbamoylpiperidin-1-yl)propanoic acid

2-amino-3-(3-carbamoylpiperidin-1-yl)propanoic acid (PubChem CID 65443827) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-amino-3-(3-carbamoylpiperidin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(3-carbamoylpiperidin-1-yl)propanoic acid
PubChem CID65443827
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Name2-amino-3-(3-carbamoylpiperidin-1-yl)propanoic acid
SMILESNC(=O)C1CCCN(CC(N)C(=O)O)C1
InChIInChI=1S/C9H17N3O3/c10-7(9(14)15)5-12-3-1-2-6(4-12)8(11)13/h6-7H,1-5,10H2,(H2,11,13)(H,14,15)
InChIKeyOTYLKZGVKKCNKX-UHFFFAOYSA-N
XLogP-1.40
TPSA109.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-1.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(3-carbamoylpiperidin-1-yl)methyl]-3-oxobutyl]piperidine-3-carboxamide
CID 23456665
(3R)-1-(2,2-diphenylethyl)piperidine-3-carboxamide
CID 26458129
(3S)-1-(2,2-diphenylethyl)piperidine-3-carboxamide
CID 26458131
1-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide
CID 63902043
1-(2-chloroethyl)piperidine-3-carboxamide
CID 61287310
1-(2-hydroxy-3-propan-2-yloxypropyl)piperidine-3-carboxamide
CID 60699960
1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 42950662
(3R)-1-(2,2-dimethylpropyl)piperidine-3-carboxamide
CID 58877777
1-(2,2-dimethylpropyl)piperidine-3-carboxamide
CID 21060232
1-[2-amino-2-(5-methylfuran-2-yl)ethyl]piperidine-3-carboxamide
CID 16794425
1-(2-cyclohexylpropyl)pyrrolidine-3-carboxamide
CID 126798055
1-(3-bromopropyl)piperidine-3-carboxamide
CID 61287309

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-carbamoylpiperidin-1-yl)propanoic acid?
The IUPAC name of 2-amino-3-(3-carbamoylpiperidin-1-yl)propanoic acid (CID 65443827) is 2-amino-3-(3-carbamoylpiperidin-1-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(3-carbamoylpiperidin-1-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(3-carbamoylpiperidin-1-yl)propanoic acid is NC(=O)C1CCCN(CC(N)C(=O)O)C1.
What is the InChIKey of 2-amino-3-(3-carbamoylpiperidin-1-yl)propanoic acid?
The InChIKey is OTYLKZGVKKCNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c10-7(9(14)15)5-12-3-1-2-6(4-12)8(11)13/h6-7H,1-5,10H2,(H2,11,13)(H,14,15).
What are the key properties of 2-amino-3-(3-carbamoylpiperidin-1-yl)propanoic acid?
2-amino-3-(3-carbamoylpiperidin-1-yl)propanoic acid has a molecular weight of 215.25 g/mol, XLogP of -1.40, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3-carbamoylpiperidin-1-yl)propanoic acid is sourced from PubChem (CID 65443827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).