(2R)-2-[[1-(2-amino-2-oxoethyl)piperidine-4-carbonyl]-methylamino]-2-pyridin-3-ylacetic acid

C16H22N4O4 — CID 97284989

IUPAC(2R)-2-[[1-(2-amino-2-oxoethyl)piperidine-4-carbonyl]-methylamino]-2-pyridin-3-ylacetic acid
SMILESCN(C(=O)C1CCN(CC(N)=O)CC1)[C@@H](C(=O)O)c1cccnc1
InChIInChI=1S/C16H22N4O4/c1-19(14(16(23)24)12-3-2-6-18-9-12)15(22)11-4-7-20(8-5-11)10-13(17)21/h2-3,6,9,11,14H,4-5,7-8,10H2,1H3,(H2,17,21)(H,23,24)/t14-/m1/s1
InChIKeyVWWNJJBOJBBKCJ-CQSZACIVSA-N
MW334.38 g/mol
LogP-0.14
Rot. Bonds6

About (2R)-2-[[1-(2-amino-2-oxoethyl)piperidine-4-carbonyl]-methylamino]-2-pyridin-3-ylacetic acid

(2R)-2-[[1-(2-amino-2-oxoethyl)piperidine-4-carbonyl]-methylamino]-2-pyridin-3-ylacetic acid (PubChem CID 97284989) has the molecular formula C16H22N4O4 and a molecular weight of 334.38 g/mol. Its IUPAC name is (2R)-2-[[1-(2-amino-2-oxoethyl)piperidine-4-carbonyl]-methylamino]-2-pyridin-3-ylacetic acid.

Molecular Properties

Compound Name(2R)-2-[[1-(2-amino-2-oxoethyl)piperidine-4-carbonyl]-methylamino]-2-pyridin-3-ylacetic acid
PubChem CID97284989
Molecular FormulaC16H22N4O4
Molecular Weight334.38 g/mol
Exact Mass334.16
IUPAC Name(2R)-2-[[1-(2-amino-2-oxoethyl)piperidine-4-carbonyl]-methylamino]-2-pyridin-3-ylacetic acid
SMILESCN(C(=O)C1CCN(CC(N)=O)CC1)[C@@H](C(=O)O)c1cccnc1
InChIInChI=1S/C16H22N4O4/c1-19(14(16(23)24)12-3-2-6-18-9-12)15(22)11-4-7-20(8-5-11)10-13(17)21/h2-3,6,9,11,14H,4-5,7-8,10H2,1H3,(H2,17,21)(H,23,24)/t14-/m1/s1
InChIKeyVWWNJJBOJBBKCJ-CQSZACIVSA-N
XLogP-0.14
TPSA116.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3-pyridin-3-ylazetidine-1-carbonyl)piperidin-1-yl]acetamide
CID 70762081
1-(2-amino-2-oxoethyl)-N-methyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]piperidine-4-carboxamide
CID 70719081
N,N-dimethyl-2-[4-(1-pyridin-3-ylethylamino)piperidin-1-yl]acetamide
CID 43768106
N,N-dimethyl-2-[4-[[(1R)-1-pyridin-3-ylethyl]amino]piperidin-1-yl]acetamide
CID 81393597
2-(diethylamino)-2-pyridin-3-ylacetic acid
CID 43803724
2-(dimethylamino)-2-pyridin-3-ylacetamide;dihydrochloride
CID 67492420
2-[formyl(methyl)amino]-2-pyridin-3-ylacetic acid
CID 63688516
1-[2-[methyl-[(1S)-1-pyridin-4-ylethyl]amino]-2-oxoethyl]piperidine-4-carboxamide
CID 97117053
1-(4-benzylpiperazin-1-yl)-2-(dimethylamino)-2-pyridin-3-ylethanone
CID 110753929
2-[acetyl(propan-2-yl)amino]-2-pyridin-3-ylacetic acid
CID 55233795
1-(1-pyridin-3-ylethyl)piperidine-4-carboxylic acid
CID 4272805
2-[methyl-[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]amino]-2-pyridin-3-ylacetic acid
CID 72856204

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[1-(2-amino-2-oxoethyl)piperidine-4-carbonyl]-methylamino]-2-pyridin-3-ylacetic acid?
The IUPAC name of (2R)-2-[[1-(2-amino-2-oxoethyl)piperidine-4-carbonyl]-methylamino]-2-pyridin-3-ylacetic acid (CID 97284989) is (2R)-2-[[1-(2-amino-2-oxoethyl)piperidine-4-carbonyl]-methylamino]-2-pyridin-3-ylacetic acid.
What is the SMILES notation for (2R)-2-[[1-(2-amino-2-oxoethyl)piperidine-4-carbonyl]-methylamino]-2-pyridin-3-ylacetic acid?
The canonical SMILES for (2R)-2-[[1-(2-amino-2-oxoethyl)piperidine-4-carbonyl]-methylamino]-2-pyridin-3-ylacetic acid is CN(C(=O)C1CCN(CC(N)=O)CC1)[C@@H](C(=O)O)c1cccnc1.
What is the InChIKey of (2R)-2-[[1-(2-amino-2-oxoethyl)piperidine-4-carbonyl]-methylamino]-2-pyridin-3-ylacetic acid?
The InChIKey is VWWNJJBOJBBKCJ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H22N4O4/c1-19(14(16(23)24)12-3-2-6-18-9-12)15(22)11-4-7-20(8-5-11)10-13(17)21/h2-3,6,9,11,14H,4-5,7-8,10H2,1H3,(H2,17,21)(H,23,24)/t14-/m1/s1.
What are the key properties of (2R)-2-[[1-(2-amino-2-oxoethyl)piperidine-4-carbonyl]-methylamino]-2-pyridin-3-ylacetic acid?
(2R)-2-[[1-(2-amino-2-oxoethyl)piperidine-4-carbonyl]-methylamino]-2-pyridin-3-ylacetic acid has a molecular weight of 334.38 g/mol, XLogP of -0.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[1-(2-amino-2-oxoethyl)piperidine-4-carbonyl]-methylamino]-2-pyridin-3-ylacetic acid is sourced from PubChem (CID 97284989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).