2-[carboxymethyl-[ethyl(piperidin-4-yl)carbamoyl]amino]acetic acid

C12H21N3O5 — CID 63646801

IUPAC2-[carboxymethyl-[ethyl(piperidin-4-yl)carbamoyl]amino]acetic acid
SMILESCCN(C(=O)N(CC(=O)O)CC(=O)O)C1CCNCC1
InChIInChI=1S/C12H21N3O5/c1-2-15(9-3-5-13-6-4-9)12(20)14(7-10(16)17)8-11(18)19/h9,13H,2-8H2,1H3,(H,16,17)(H,18,19)
InChIKeyMLSLENOQRRKHPE-UHFFFAOYSA-N
MW287.32 g/mol
LogP-0.35
Rot. Bonds6

About 2-[carboxymethyl-[ethyl(piperidin-4-yl)carbamoyl]amino]acetic acid

2-[carboxymethyl-[ethyl(piperidin-4-yl)carbamoyl]amino]acetic acid (PubChem CID 63646801) has the molecular formula C12H21N3O5 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[carboxymethyl-[ethyl(piperidin-4-yl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[ethyl(piperidin-4-yl)carbamoyl]amino]acetic acid
PubChem CID63646801
Molecular FormulaC12H21N3O5
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name2-[carboxymethyl-[ethyl(piperidin-4-yl)carbamoyl]amino]acetic acid
SMILESCCN(C(=O)N(CC(=O)O)CC(=O)O)C1CCNCC1
InChIInChI=1S/C12H21N3O5/c1-2-15(9-3-5-13-6-4-9)12(20)14(7-10(16)17)8-11(18)19/h9,13H,2-8H2,1H3,(H,16,17)(H,18,19)
InChIKeyMLSLENOQRRKHPE-UHFFFAOYSA-N
XLogP-0.35
TPSA110.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl-[piperidin-4-yl(propyl)carbamoyl]amino]acetic acid
CID 61408551
N-ethyl-2-methyl-N-piperidin-4-ylpropanamide
CID 23369986
N-ethyl-2,2-dimethyl-N-piperidin-4-ylpropanamide
CID 60805901
methyl N-ethyl-N-piperidin-4-ylcarbamate;hydrochloride
CID 155407834
N-cyclopropyl-N-ethylpiperidine-4-carboxamide
CID 43264267
N-ethyl-3-methyl-N-piperidin-4-ylbutanamide
CID 60806063
2-[azepan-4-yl(methyl)amino]acetic acid
CID 107173147
4-[ethyl(piperidin-4-yl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65299800
2-[ethyl(piperidin-4-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 113361053
N-ethyl-2-hydroxy-2-phenyl-N-piperidin-4-ylacetamide
CID 60806916
2-[carboxymethyl-[cyclopropyl(3-methylbutyl)carbamoyl]amino]acetic acid
CID 78947635
2-[carboxymethyl-[cyclopropyl(2-methoxyethyl)carbamoyl]amino]acetic acid
CID 63645629

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[ethyl(piperidin-4-yl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[ethyl(piperidin-4-yl)carbamoyl]amino]acetic acid (CID 63646801) is 2-[carboxymethyl-[ethyl(piperidin-4-yl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[ethyl(piperidin-4-yl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[ethyl(piperidin-4-yl)carbamoyl]amino]acetic acid is CCN(C(=O)N(CC(=O)O)CC(=O)O)C1CCNCC1.
What is the InChIKey of 2-[carboxymethyl-[ethyl(piperidin-4-yl)carbamoyl]amino]acetic acid?
The InChIKey is MLSLENOQRRKHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O5/c1-2-15(9-3-5-13-6-4-9)12(20)14(7-10(16)17)8-11(18)19/h9,13H,2-8H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[carboxymethyl-[ethyl(piperidin-4-yl)carbamoyl]amino]acetic acid?
2-[carboxymethyl-[ethyl(piperidin-4-yl)carbamoyl]amino]acetic acid has a molecular weight of 287.32 g/mol, XLogP of -0.35, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[ethyl(piperidin-4-yl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 63646801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).