(2S)-2-amino-N-[1-(2-amino-2-oxoethyl)-2-oxo-3-pyridinyl]-3-methylbutanamide

C12H18N4O3 — CID 11845094

IUPAC(2S)-2-amino-N-[1-(2-amino-2-oxoethyl)-2-oxo-3-pyridinyl]-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)Nc1cccn(CC(N)=O)c1=O
InChIInChI=1S/C12H18N4O3/c1-7(2)10(14)11(18)15-8-4-3-5-16(12(8)19)6-9(13)17/h3-5,7,10H,6,14H2,1-2H3,(H2,13,17)(H,15,18)/t10-/m0/s1
InChIKeyFZCORJXHMQLEQM-JTQLQIEISA-N
MW266.30 g/mol
LogP-0.74
Rot. Bonds5

About (2S)-2-amino-N-[1-(2-amino-2-oxoethyl)-2-oxo-3-pyridinyl]-3-methylbutanamide

(2S)-2-amino-N-[1-(2-amino-2-oxoethyl)-2-oxo-3-pyridinyl]-3-methylbutanamide (PubChem CID 11845094) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(2-amino-2-oxoethyl)-2-oxo-3-pyridinyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(2-amino-2-oxoethyl)-2-oxo-3-pyridinyl]-3-methylbutanamide
PubChem CID11845094
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name(2S)-2-amino-N-[1-(2-amino-2-oxoethyl)-2-oxo-3-pyridinyl]-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)Nc1cccn(CC(N)=O)c1=O
InChIInChI=1S/C12H18N4O3/c1-7(2)10(14)11(18)15-8-4-3-5-16(12(8)19)6-9(13)17/h3-5,7,10H,6,14H2,1-2H3,(H2,13,17)(H,15,18)/t10-/m0/s1
InChIKeyFZCORJXHMQLEQM-JTQLQIEISA-N
XLogP-0.74
TPSA120.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(2-amino-2-oxoethyl)-2-oxo-3-pyridinyl]-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-[1-(2-amino-2-oxoethyl)-2-oxo-3-pyridinyl]-3-methylbutanamide (CID 11845094) is (2S)-2-amino-N-[1-(2-amino-2-oxoethyl)-2-oxo-3-pyridinyl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[1-(2-amino-2-oxoethyl)-2-oxo-3-pyridinyl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[1-(2-amino-2-oxoethyl)-2-oxo-3-pyridinyl]-3-methylbutanamide is CC(C)[C@H](N)C(=O)Nc1cccn(CC(N)=O)c1=O.
What is the InChIKey of (2S)-2-amino-N-[1-(2-amino-2-oxoethyl)-2-oxo-3-pyridinyl]-3-methylbutanamide?
The InChIKey is FZCORJXHMQLEQM-JTQLQIEISA-N. The full InChI is InChI=1S/C12H18N4O3/c1-7(2)10(14)11(18)15-8-4-3-5-16(12(8)19)6-9(13)17/h3-5,7,10H,6,14H2,1-2H3,(H2,13,17)(H,15,18)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-N-[1-(2-amino-2-oxoethyl)-2-oxo-3-pyridinyl]-3-methylbutanamide?
(2S)-2-amino-N-[1-(2-amino-2-oxoethyl)-2-oxo-3-pyridinyl]-3-methylbutanamide has a molecular weight of 266.30 g/mol, XLogP of -0.74, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-(2-amino-2-oxoethyl)-2-oxo-3-pyridinyl]-3-methylbutanamide is sourced from PubChem (CID 11845094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).