(2R)-2-amino-3-methyl-N-[(3S)-2-methyl-4-oxohexan-3-yl]butanamide

C12H24N2O2 — CID 155089118

IUPAC(2R)-2-amino-3-methyl-N-[(3S)-2-methyl-4-oxohexan-3-yl]butanamide
SMILESCCC(=O)[C@@H](NC(=O)[C@H](N)C(C)C)C(C)C
InChIInChI=1S/C12H24N2O2/c1-6-9(15)11(8(4)5)14-12(16)10(13)7(2)3/h7-8,10-11H,6,13H2,1-5H3,(H,14,16)/t10-,11+/m1/s1
InChIKeyDZFSGSMUCSYRBN-MNOVXSKESA-N
MW228.34 g/mol
LogP1.09
Rot. Bonds6

About (2R)-2-amino-3-methyl-N-[(3S)-2-methyl-4-oxohexan-3-yl]butanamide

(2R)-2-amino-3-methyl-N-[(3S)-2-methyl-4-oxohexan-3-yl]butanamide (PubChem CID 155089118) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is (2R)-2-amino-3-methyl-N-[(3S)-2-methyl-4-oxohexan-3-yl]butanamide.

Molecular Properties

Compound Name(2R)-2-amino-3-methyl-N-[(3S)-2-methyl-4-oxohexan-3-yl]butanamide
PubChem CID155089118
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name(2R)-2-amino-3-methyl-N-[(3S)-2-methyl-4-oxohexan-3-yl]butanamide
SMILESCCC(=O)[C@@H](NC(=O)[C@H](N)C(C)C)C(C)C
InChIInChI=1S/C12H24N2O2/c1-6-9(15)11(8(4)5)14-12(16)10(13)7(2)3/h7-8,10-11H,6,13H2,1-5H3,(H,14,16)/t10-,11+/m1/s1
InChIKeyDZFSGSMUCSYRBN-MNOVXSKESA-N
XLogP1.09
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-amino-3-methyl-N-[(3S)-2-methyl-4-oxohexan-3-yl]butanamide with MolForge

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Related Compounds

(2R)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoic acid
CID 6997293
N-[(3S)-2-methyl-4-oxohexan-3-yl]acetamide
CID 89131708
(2S)-2-[(2-amino-3-methylbutanoyl)amino]-3-methylpentanoic acid
CID 61174009
(4R)-4-amino-5-methylhexan-3-one
CID 88898778
ethyl N-(2-methyl-4-oxohexan-3-yl)carbamate
CID 90967587
methyl N-[(3R)-2-methyl-4-oxohexan-3-yl]carbamate
CID 88887792
(2S)-2-amino-3-methyl-N-pentan-2-ylbutanamide
CID 61148058
2-methoxypropyl 2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoate
CID 176672908
tert-butyl 2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoate
CID 12944652
(2S)-2-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-3-methylbutanamide
CID 61154394
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
CID 25120389
tert-butyl (2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoate;hydrochloride
CID 131713272

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-methyl-N-[(3S)-2-methyl-4-oxohexan-3-yl]butanamide?
The IUPAC name of (2R)-2-amino-3-methyl-N-[(3S)-2-methyl-4-oxohexan-3-yl]butanamide (CID 155089118) is (2R)-2-amino-3-methyl-N-[(3S)-2-methyl-4-oxohexan-3-yl]butanamide.
What is the SMILES notation for (2R)-2-amino-3-methyl-N-[(3S)-2-methyl-4-oxohexan-3-yl]butanamide?
The canonical SMILES for (2R)-2-amino-3-methyl-N-[(3S)-2-methyl-4-oxohexan-3-yl]butanamide is CCC(=O)[C@@H](NC(=O)[C@H](N)C(C)C)C(C)C.
What is the InChIKey of (2R)-2-amino-3-methyl-N-[(3S)-2-methyl-4-oxohexan-3-yl]butanamide?
The InChIKey is DZFSGSMUCSYRBN-MNOVXSKESA-N. The full InChI is InChI=1S/C12H24N2O2/c1-6-9(15)11(8(4)5)14-12(16)10(13)7(2)3/h7-8,10-11H,6,13H2,1-5H3,(H,14,16)/t10-,11+/m1/s1.
What are the key properties of (2R)-2-amino-3-methyl-N-[(3S)-2-methyl-4-oxohexan-3-yl]butanamide?
(2R)-2-amino-3-methyl-N-[(3S)-2-methyl-4-oxohexan-3-yl]butanamide has a molecular weight of 228.34 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-methyl-N-[(3S)-2-methyl-4-oxohexan-3-yl]butanamide is sourced from PubChem (CID 155089118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).