(2S)-2-amino-3-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]butanamide

C11H23N3O2 — CID 103794522

IUPAC(2S)-2-amino-3-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]butanamide
SMILESCC(C)NC(=O)CCNC(=O)[C@@H](N)C(C)C
InChIInChI=1S/C11H23N3O2/c1-7(2)10(12)11(16)13-6-5-9(15)14-8(3)4/h7-8,10H,5-6,12H2,1-4H3,(H,13,16)(H,14,15)/t10-/m0/s1
InChIKeyIGOKOKKLGDCSJM-JTQLQIEISA-N
MW229.32 g/mol
LogP0.00
Rot. Bonds6

About (2S)-2-amino-3-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]butanamide

(2S)-2-amino-3-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]butanamide (PubChem CID 103794522) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]butanamide
PubChem CID103794522
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name(2S)-2-amino-3-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]butanamide
SMILESCC(C)NC(=O)CCNC(=O)[C@@H](N)C(C)C
InChIInChI=1S/C11H23N3O2/c1-7(2)10(12)11(16)13-6-5-9(15)14-8(3)4/h7-8,10H,5-6,12H2,1-4H3,(H,13,16)(H,14,15)/t10-/m0/s1
InChIKeyIGOKOKKLGDCSJM-JTQLQIEISA-N
XLogP0.00
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]butanamide
CID 115733718
(2S)-2-amino-4-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]pentanamide;hydrochloride
CID 119703887
(2R)-2-amino-N-(3-amino-3-oxopropyl)-3-methylbutanamide
CID 79011495
2-amino-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-methylbutanamide
CID 112700885
(2S)-2-amino-N-butyl-3-methylbutan(15N)amide
CID 158456312
(2S)-2-amino-N-[8-[[(2S)-2-amino-3-methylbutanoyl]amino]octyl]-3-methylbutanamide
CID 101248769
3,3-dimethyl-2-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoyl]butanoic acid
CID 116537453
3-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]propanoyl]amino]propanoic acid
CID 170549773
3-[(N'-methylcarbamimidoyl)amino]-N-propan-2-ylpropanamide
CID 115600936
2-amino-3-methyl-N-propylbutanamide;ethane
CID 143224871
1-amino-N-[3-oxo-3-(propan-2-ylamino)propyl]cyclopropane-1-carboxamide;hydrochloride
CID 119703846
(2S)-2-amino-N-[2-(butylamino)-2-oxoethyl]-3-methylbutanamide
CID 82962524

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]butanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]butanamide (CID 103794522) is (2S)-2-amino-3-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]butanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]butanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]butanamide is CC(C)NC(=O)CCNC(=O)[C@@H](N)C(C)C.
What is the InChIKey of (2S)-2-amino-3-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]butanamide?
The InChIKey is IGOKOKKLGDCSJM-JTQLQIEISA-N. The full InChI is InChI=1S/C11H23N3O2/c1-7(2)10(12)11(16)13-6-5-9(15)14-8(3)4/h7-8,10H,5-6,12H2,1-4H3,(H,13,16)(H,14,15)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]butanamide?
(2S)-2-amino-3-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]butanamide has a molecular weight of 229.32 g/mol, XLogP of 0.00, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]butanamide is sourced from PubChem (CID 103794522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).