(2S)-2-amino-3-methyl-N-(3-methylpentan-3-yl)butanamide

C11H24N2O — CID 106328618

IUPAC(2S)-2-amino-3-methyl-N-(3-methylpentan-3-yl)butanamide
SMILESCCC(C)(CC)NC(=O)[C@@H](N)C(C)C
InChIInChI=1S/C11H24N2O/c1-6-11(5,7-2)13-10(14)9(12)8(3)4/h8-9H,6-7,12H2,1-5H3,(H,13,14)/t9-/m0/s1
InChIKeyKWWUJIDQKSDABJ-VIFPVBQESA-N
MW200.33 g/mol
LogP1.66
Rot. Bonds5

About (2S)-2-amino-3-methyl-N-(3-methylpentan-3-yl)butanamide

(2S)-2-amino-3-methyl-N-(3-methylpentan-3-yl)butanamide (PubChem CID 106328618) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-(3-methylpentan-3-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-(3-methylpentan-3-yl)butanamide
PubChem CID106328618
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name(2S)-2-amino-3-methyl-N-(3-methylpentan-3-yl)butanamide
SMILESCCC(C)(CC)NC(=O)[C@@H](N)C(C)C
InChIInChI=1S/C11H24N2O/c1-6-11(5,7-2)13-10(14)9(12)8(3)4/h8-9H,6-7,12H2,1-5H3,(H,13,14)/t9-/m0/s1
InChIKeyKWWUJIDQKSDABJ-VIFPVBQESA-N
XLogP1.66
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(1-hydroxy-2-methylbutan-2-yl)-3-methylbutanamide
CID 64549101
2-amino-N-(3-methylpentan-3-yl)butanamide
CID 103796916
3-amino-2-methyl-N-(3-methylpentan-3-yl)propanamide
CID 106328381
(2S)-2-amino-N-(3-methylpentan-3-yl)pentanamide
CID 106328652
2-amino-N-(1-hydroxy-3-methylpentan-3-yl)-3-methylpentanamide
CID 106176135
2-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-methylbutanamide
CID 107852750
(2R)-2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-methylbutanamide
CID 79013078
ethyl 2-amino-3-(3-methylpentan-3-ylamino)-3-oxopropanoate
CID 106328522
4-amino-2-methyl-N-(3-methylpentan-3-yl)butanamide
CID 106328547
2-amino-N-(3-methylpentan-3-yl)pentanamide;hydrochloride
CID 119324973
2-amino-3-methoxy-N-(3-methylpentan-3-yl)propanamide
CID 106328510
methyl 2-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-methylpropanoate
CID 79011701

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-(3-methylpentan-3-yl)butanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-(3-methylpentan-3-yl)butanamide (CID 106328618) is (2S)-2-amino-3-methyl-N-(3-methylpentan-3-yl)butanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-(3-methylpentan-3-yl)butanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-(3-methylpentan-3-yl)butanamide is CCC(C)(CC)NC(=O)[C@@H](N)C(C)C.
What is the InChIKey of (2S)-2-amino-3-methyl-N-(3-methylpentan-3-yl)butanamide?
The InChIKey is KWWUJIDQKSDABJ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H24N2O/c1-6-11(5,7-2)13-10(14)9(12)8(3)4/h8-9H,6-7,12H2,1-5H3,(H,13,14)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-(3-methylpentan-3-yl)butanamide?
(2S)-2-amino-3-methyl-N-(3-methylpentan-3-yl)butanamide has a molecular weight of 200.33 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-(3-methylpentan-3-yl)butanamide is sourced from PubChem (CID 106328618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).