2-formamido-3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide

C10H18N2O3 — CID 145262331

IUPAC2-formamido-3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide
SMILESCC(=O)[C@H](C)NC(=O)C(NC=O)C(C)C
InChIInChI=1S/C10H18N2O3/c1-6(2)9(11-5-13)10(15)12-7(3)8(4)14/h5-7,9H,1-4H3,(H,11,13)(H,12,15)/t7-,9?/m0/s1
InChIKeyAZRHKKHGXKXTQP-JAVCKPHESA-N
MW214.26 g/mol
LogP-0.15
Rot. Bonds6

About 2-formamido-3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide

2-formamido-3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide (PubChem CID 145262331) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-formamido-3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide.

Molecular Properties

Compound Name2-formamido-3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide
PubChem CID145262331
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name2-formamido-3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide
SMILESCC(=O)[C@H](C)NC(=O)C(NC=O)C(C)C
InChIInChI=1S/C10H18N2O3/c1-6(2)9(11-5-13)10(15)12-7(3)8(4)14/h5-7,9H,1-4H3,(H,11,13)(H,12,15)/t7-,9?/m0/s1
InChIKeyAZRHKKHGXKXTQP-JAVCKPHESA-N
XLogP-0.15
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-formamido-N-[(2S)-1-iodopropan-2-yl]-3-methylbutanamide
CID 88964463
propan-2-yl N-[(2S)-3-methyl-1-oxo-1-(3-oxobutan-2-ylamino)butan-2-yl]carbamate
CID 11108476
2-methyl-N-[(2R)-3-oxobutan-2-yl]propanamide
CID 90262242
(2S)-N-(1-chloro-4-methyl-2-oxopentan-3-yl)-2-formamidopropanamide
CID 89055024
2-amino-3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide
CID 88930533
3-methyl-2-(methylamino)-N-(2-methyl-4-oxopentan-3-yl)butanamide
CID 154976995
(2S)-2-(tert-butylamino)-3-methyl-N-[(2S)-4-methyl-3-oxopentan-2-yl]butanamide
CID 138482618
(2S)-2-[(2-formamido-3-methylbutanoyl)amino]-N-(4-methylphenyl)pentanamide
CID 169237286
N-[(3S)-3-amino-1-phenylpentan-2-yl]-2-formamido-3-methylbutanamide
CID 130374047
benzyl N-[(2S)-3-methyl-1-oxo-1-[[(2S)-3-oxobutan-2-yl]amino]butan-2-yl]carbamate
CID 70956192
(2S)-2-(tert-butylamino)-N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]-3-methylbutanamide
CID 166671320
(2S)-2-acetamido-N-[(3S)-4-methyl-1,2-dioxopentan-3-yl]propanamide
CID 53343350

Frequently Asked Questions

What is the IUPAC name of 2-formamido-3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide?
The IUPAC name of 2-formamido-3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide (CID 145262331) is 2-formamido-3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide.
What is the SMILES notation for 2-formamido-3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide?
The canonical SMILES for 2-formamido-3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide is CC(=O)[C@H](C)NC(=O)C(NC=O)C(C)C.
What is the InChIKey of 2-formamido-3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide?
The InChIKey is AZRHKKHGXKXTQP-JAVCKPHESA-N. The full InChI is InChI=1S/C10H18N2O3/c1-6(2)9(11-5-13)10(15)12-7(3)8(4)14/h5-7,9H,1-4H3,(H,11,13)(H,12,15)/t7-,9?/m0/s1.
What are the key properties of 2-formamido-3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide?
2-formamido-3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide has a molecular weight of 214.26 g/mol, XLogP of -0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formamido-3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide is sourced from PubChem (CID 145262331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).