2-[(1-carbamoylpiperidine-3-carbonyl)-propylamino]acetic acid

C12H21N3O4 — CID 61007347

IUPAC2-[(1-carbamoylpiperidine-3-carbonyl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)C1CCCN(C(N)=O)C1
InChIInChI=1S/C12H21N3O4/c1-2-5-14(8-10(16)17)11(18)9-4-3-6-15(7-9)12(13)19/h9H,2-8H2,1H3,(H2,13,19)(H,16,17)
InChIKeyNFGBKQFUIDRUNE-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.10
Rot. Bonds5

About 2-[(1-carbamoylpiperidine-3-carbonyl)-propylamino]acetic acid

2-[(1-carbamoylpiperidine-3-carbonyl)-propylamino]acetic acid (PubChem CID 61007347) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[(1-carbamoylpiperidine-3-carbonyl)-propylamino]acetic acid.

Molecular Properties

Compound Name2-[(1-carbamoylpiperidine-3-carbonyl)-propylamino]acetic acid
PubChem CID61007347
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name2-[(1-carbamoylpiperidine-3-carbonyl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)C1CCCN(C(N)=O)C1
InChIInChI=1S/C12H21N3O4/c1-2-5-14(8-10(16)17)11(18)9-4-3-6-15(7-9)12(13)19/h9H,2-8H2,1H3,(H2,13,19)(H,16,17)
InChIKeyNFGBKQFUIDRUNE-UHFFFAOYSA-N
XLogP0.10
TPSA103.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-carbamoylpiperidine-3-carbonyl)-[2-(dimethylamino)ethyl]amino]acetic acid
CID 103802821
2-[[1-(diethylcarbamoyl)piperidine-3-carbonyl]-propylamino]acetic acid
CID 75383592
2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]-propylamino]acetic acid
CID 61013155
2-[[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]-propylamino]acetic acid
CID 119205313
2-[[(2S)-butan-2-yl]-[(3R)-1-carbamoylpiperidine-3-carbonyl]amino]acetic acid
CID 129365613
2-[cyclopentanecarbonyl(propyl)amino]acetic acid
CID 61011527
(3R)-1-(dipropylcarbamoyl)piperidine-3-carboxylic acid
CID 28512445
3-N-(2-hydroxyethyl)-3-N-(2,2,2-trifluoroethyl)piperidine-1,3-dicarboxamide
CID 103750590
2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]-(2-methylpropyl)amino]acetic acid
CID 119193357
2-[(3-piperidin-1-ylpyrrolidine-1-carbonyl)-propylamino]acetic acid
CID 63548318
(3R)-1-[(2-ethoxy-2-oxoethyl)-propylcarbamoyl]piperidine-3-carboxylic acid
CID 81119933
2-[(1-benzylsulfonylpiperidine-3-carbonyl)-propylamino]acetic acid
CID 119205672

Frequently Asked Questions

What is the IUPAC name of 2-[(1-carbamoylpiperidine-3-carbonyl)-propylamino]acetic acid?
The IUPAC name of 2-[(1-carbamoylpiperidine-3-carbonyl)-propylamino]acetic acid (CID 61007347) is 2-[(1-carbamoylpiperidine-3-carbonyl)-propylamino]acetic acid.
What is the SMILES notation for 2-[(1-carbamoylpiperidine-3-carbonyl)-propylamino]acetic acid?
The canonical SMILES for 2-[(1-carbamoylpiperidine-3-carbonyl)-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)C1CCCN(C(N)=O)C1.
What is the InChIKey of 2-[(1-carbamoylpiperidine-3-carbonyl)-propylamino]acetic acid?
The InChIKey is NFGBKQFUIDRUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-2-5-14(8-10(16)17)11(18)9-4-3-6-15(7-9)12(13)19/h9H,2-8H2,1H3,(H2,13,19)(H,16,17).
What are the key properties of 2-[(1-carbamoylpiperidine-3-carbonyl)-propylamino]acetic acid?
2-[(1-carbamoylpiperidine-3-carbonyl)-propylamino]acetic acid has a molecular weight of 271.32 g/mol, XLogP of 0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-carbamoylpiperidine-3-carbonyl)-propylamino]acetic acid is sourced from PubChem (CID 61007347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).