(3S)-3-[2-[(2S,3S)-3-methyl-1-oxopentan-2-yl]hydrazinyl]-4-oxobutanamide

C10H19N3O3 — CID 130265205

IUPAC(3S)-3-[2-[(2S,3S)-3-methyl-1-oxopentan-2-yl]hydrazinyl]-4-oxobutanamide
SMILESCC[C@H](C)[C@@H](C=O)NN[C@H](C=O)CC(N)=O
InChIInChI=1S/C10H19N3O3/c1-3-7(2)9(6-15)13-12-8(5-14)4-10(11)16/h5-9,12-13H,3-4H2,1-2H3,(H2,11,16)/t7-,8-,9+/m0/s1
InChIKeySHKLVXHJNNEPSY-XHNCKOQMSA-N
MW229.28 g/mol
LogP-0.86
Rot. Bonds9

About (3S)-3-[2-[(2S,3S)-3-methyl-1-oxopentan-2-yl]hydrazinyl]-4-oxobutanamide

(3S)-3-[2-[(2S,3S)-3-methyl-1-oxopentan-2-yl]hydrazinyl]-4-oxobutanamide (PubChem CID 130265205) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is (3S)-3-[2-[(2S,3S)-3-methyl-1-oxopentan-2-yl]hydrazinyl]-4-oxobutanamide.

Molecular Properties

Compound Name(3S)-3-[2-[(2S,3S)-3-methyl-1-oxopentan-2-yl]hydrazinyl]-4-oxobutanamide
PubChem CID130265205
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Name(3S)-3-[2-[(2S,3S)-3-methyl-1-oxopentan-2-yl]hydrazinyl]-4-oxobutanamide
SMILESCC[C@H](C)[C@@H](C=O)NN[C@H](C=O)CC(N)=O
InChIInChI=1S/C10H19N3O3/c1-3-7(2)9(6-15)13-12-8(5-14)4-10(11)16/h5-9,12-13H,3-4H2,1-2H3,(H2,11,16)/t7-,8-,9+/m0/s1
InChIKeySHKLVXHJNNEPSY-XHNCKOQMSA-N
XLogP-0.86
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (3S)-3-[2-[(2S,3S)-3-methyl-1-oxopentan-2-yl]hydrazinyl]-4-oxobutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-methyl-1-oxopentan-2-yl)carbamic acid
CID 22368838
N-(3-methyl-1-oxopentan-2-yl)propanamide
CID 19592258
(2S)-2-amino-N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]propanamide
CID 22819051
3-methyl-N-(3-methyl-1-oxopentan-2-yl)butanamide
CID 123144542
(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S,3S)-3-methyl-2-[2-[(2S,3S)-3-methyl-1-oxopentan-2-yl]hydrazinyl]pentanoyl]amino]pentanoyl]amino]-N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]butanediamide
CID 58307904
(2S,3R)-N-[(2S)-4-amino-1,4-dioxobutan-2-yl]-3-hydroxy-2-(methylamino)butanamide
CID 118940542
(3R)-2,3-dimethyl-N-[(3S)-3-methyl-1-oxopentan-2-yl]pentanamide
CID 172568170
(2S)-2-amino-3-hydroxy-N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]propanamide
CID 52914805
2-butan-2-ylbutanediamide
CID 87535883
(2S)-N-[(2S)-4-amino-1,4-dioxobutan-2-yl]-2-(aminomethylamino)-4-methylpentanamide
CID 88560035
ethyl 6-amino-3,4-dimethyl-6-oxohexanoate
CID 59188853
3-(ethylamino)butanamide
CID 18792210

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[2-[(2S,3S)-3-methyl-1-oxopentan-2-yl]hydrazinyl]-4-oxobutanamide?
The IUPAC name of (3S)-3-[2-[(2S,3S)-3-methyl-1-oxopentan-2-yl]hydrazinyl]-4-oxobutanamide (CID 130265205) is (3S)-3-[2-[(2S,3S)-3-methyl-1-oxopentan-2-yl]hydrazinyl]-4-oxobutanamide.
What is the SMILES notation for (3S)-3-[2-[(2S,3S)-3-methyl-1-oxopentan-2-yl]hydrazinyl]-4-oxobutanamide?
The canonical SMILES for (3S)-3-[2-[(2S,3S)-3-methyl-1-oxopentan-2-yl]hydrazinyl]-4-oxobutanamide is CC[C@H](C)[C@@H](C=O)NN[C@H](C=O)CC(N)=O.
What is the InChIKey of (3S)-3-[2-[(2S,3S)-3-methyl-1-oxopentan-2-yl]hydrazinyl]-4-oxobutanamide?
The InChIKey is SHKLVXHJNNEPSY-XHNCKOQMSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-3-7(2)9(6-15)13-12-8(5-14)4-10(11)16/h5-9,12-13H,3-4H2,1-2H3,(H2,11,16)/t7-,8-,9+/m0/s1.
What are the key properties of (3S)-3-[2-[(2S,3S)-3-methyl-1-oxopentan-2-yl]hydrazinyl]-4-oxobutanamide?
(3S)-3-[2-[(2S,3S)-3-methyl-1-oxopentan-2-yl]hydrazinyl]-4-oxobutanamide has a molecular weight of 229.28 g/mol, XLogP of -0.86, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[2-[(2S,3S)-3-methyl-1-oxopentan-2-yl]hydrazinyl]-4-oxobutanamide is sourced from PubChem (CID 130265205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).