(2S)-2-amino-3-methyl-N-(3-methylbutan-2-yl)-N-propan-2-ylbutanamide

C13H28N2O — CID 59033207

IUPAC(2S)-2-amino-3-methyl-N-(3-methylbutan-2-yl)-N-propan-2-ylbutanamide
SMILESCC(C)C(C)N(C(=O)[C@@H](N)C(C)C)C(C)C
InChIInChI=1S/C13H28N2O/c1-8(2)11(7)15(10(5)6)13(16)12(14)9(3)4/h8-12H,14H2,1-7H3/t11?,12-/m0/s1
InChIKeyPFHVHXVUVRYWAN-KIYNQFGBSA-N
MW228.38 g/mol
LogP2.25
Rot. Bonds5

About (2S)-2-amino-3-methyl-N-(3-methylbutan-2-yl)-N-propan-2-ylbutanamide

(2S)-2-amino-3-methyl-N-(3-methylbutan-2-yl)-N-propan-2-ylbutanamide (PubChem CID 59033207) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-(3-methylbutan-2-yl)-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-(3-methylbutan-2-yl)-N-propan-2-ylbutanamide
PubChem CID59033207
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name(2S)-2-amino-3-methyl-N-(3-methylbutan-2-yl)-N-propan-2-ylbutanamide
SMILESCC(C)C(C)N(C(=O)[C@@H](N)C(C)C)C(C)C
InChIInChI=1S/C13H28N2O/c1-8(2)11(7)15(10(5)6)13(16)12(14)9(3)4/h8-12H,14H2,1-7H3/t11?,12-/m0/s1
InChIKeyPFHVHXVUVRYWAN-KIYNQFGBSA-N
XLogP2.25
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-ethyl-3-methyl-N-propan-2-ylbutanamide
CID 43265863
(2R)-2-amino-N,N-bis(cyclopropylmethyl)-3-methylbutanamide
CID 79012331
(2S)-2-amino-3-methyl-N,N-dipropylbutanamide
CID 22690786
2-amino-N,3-dimethyl-N-(2-methylpropyl)butanamide
CID 43272154
2-amino-N,N-bis(2-amino-2-oxoethyl)-3-methylbutanamide
CID 62921574
(2S)-2-amino-3-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide
CID 61165092
(2R)-2-amino-N-(cyclopropylmethyl)-N,3-dimethylbutanamide
CID 79013234
(2S)-2-amino-N-cyclohexyl-N,3-dimethylbutanamide
CID 61149042
(2R)-2-amino-N,3-dimethyl-N-pentan-3-ylbutanamide
CID 79011778
(2R)-2-(15N)azanyl-3-methylbutanoic acid
CID 10558606
(2R)-2-amino-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylbutanamide
CID 82948774
(2S)-2-amino-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylbutanamide
CID 82948115

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-(3-methylbutan-2-yl)-N-propan-2-ylbutanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-(3-methylbutan-2-yl)-N-propan-2-ylbutanamide (CID 59033207) is (2S)-2-amino-3-methyl-N-(3-methylbutan-2-yl)-N-propan-2-ylbutanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-(3-methylbutan-2-yl)-N-propan-2-ylbutanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-(3-methylbutan-2-yl)-N-propan-2-ylbutanamide is CC(C)C(C)N(C(=O)[C@@H](N)C(C)C)C(C)C.
What is the InChIKey of (2S)-2-amino-3-methyl-N-(3-methylbutan-2-yl)-N-propan-2-ylbutanamide?
The InChIKey is PFHVHXVUVRYWAN-KIYNQFGBSA-N. The full InChI is InChI=1S/C13H28N2O/c1-8(2)11(7)15(10(5)6)13(16)12(14)9(3)4/h8-12H,14H2,1-7H3/t11?,12-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-(3-methylbutan-2-yl)-N-propan-2-ylbutanamide?
(2S)-2-amino-3-methyl-N-(3-methylbutan-2-yl)-N-propan-2-ylbutanamide has a molecular weight of 228.38 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-(3-methylbutan-2-yl)-N-propan-2-ylbutanamide is sourced from PubChem (CID 59033207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).