(2S)-2-amino-N-(3-ethylpentan-2-yl)butanamide

C11H24N2O — CID 79023204

IUPAC(2S)-2-amino-N-(3-ethylpentan-2-yl)butanamide
SMILESCCC(CC)C(C)NC(=O)[C@@H](N)CC
InChIInChI=1S/C11H24N2O/c1-5-9(6-2)8(4)13-11(14)10(12)7-3/h8-10H,5-7,12H2,1-4H3,(H,13,14)/t8?,10-/m0/s1
InChIKeyNWMLNLDSXTXQBP-HTLJXXAVSA-N
MW200.33 g/mol
LogP1.66
Rot. Bonds6

About (2S)-2-amino-N-(3-ethylpentan-2-yl)butanamide

(2S)-2-amino-N-(3-ethylpentan-2-yl)butanamide (PubChem CID 79023204) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is (2S)-2-amino-N-(3-ethylpentan-2-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(3-ethylpentan-2-yl)butanamide
PubChem CID79023204
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name(2S)-2-amino-N-(3-ethylpentan-2-yl)butanamide
SMILESCCC(CC)C(C)NC(=O)[C@@H](N)CC
InChIInChI=1S/C11H24N2O/c1-5-9(6-2)8(4)13-11(14)10(12)7-3/h8-10H,5-7,12H2,1-4H3,(H,13,14)/t8?,10-/m0/s1
InChIKeyNWMLNLDSXTXQBP-HTLJXXAVSA-N
XLogP1.66
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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-[(2S)-1-oxopropan-2-yl]butanamide
CID 138857478
2-amino-N-(3-ethylpentan-2-yl)-4-phenylbutanamide
CID 114928414
2-amino-N-(1-amino-1-oxopropan-2-yl)butanamide
CID 43649626
(2R)-2-amino-N-[(2R)-1-aminopropan-2-yl]butanamide
CID 131206927
(2S)-2-amino-3-(3,4-dihydroxyphenyl)-N-(3-ethylpentan-2-yl)propanamide
CID 63842842
(2R)-2-amino-N-(4-hydroxybutan-2-yl)butanamide
CID 83177321
(2S)-2-amino-N-(4-methylpentan-2-yl)butanamide
CID 79025012
3-(2-aminobutanoylamino)butanoic acid
CID 61159852
2-amino-N-(1,3-dihydroxypropan-2-yl)butanamide
CID 65314270
(2S)-2-amino-N-hexan-2-ylbutanamide
CID 79023466
2-amino-3-(3-ethylpentan-2-ylamino)propanamide
CID 103250759
3-amino-N-(3-ethylpentan-2-yl)-2-methoxypropanamide
CID 106112904

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3-ethylpentan-2-yl)butanamide?
The IUPAC name of (2S)-2-amino-N-(3-ethylpentan-2-yl)butanamide (CID 79023204) is (2S)-2-amino-N-(3-ethylpentan-2-yl)butanamide.
What is the SMILES notation for (2S)-2-amino-N-(3-ethylpentan-2-yl)butanamide?
The canonical SMILES for (2S)-2-amino-N-(3-ethylpentan-2-yl)butanamide is CCC(CC)C(C)NC(=O)[C@@H](N)CC.
What is the InChIKey of (2S)-2-amino-N-(3-ethylpentan-2-yl)butanamide?
The InChIKey is NWMLNLDSXTXQBP-HTLJXXAVSA-N. The full InChI is InChI=1S/C11H24N2O/c1-5-9(6-2)8(4)13-11(14)10(12)7-3/h8-10H,5-7,12H2,1-4H3,(H,13,14)/t8?,10-/m0/s1.
What are the key properties of (2S)-2-amino-N-(3-ethylpentan-2-yl)butanamide?
(2S)-2-amino-N-(3-ethylpentan-2-yl)butanamide has a molecular weight of 200.33 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(3-ethylpentan-2-yl)butanamide is sourced from PubChem (CID 79023204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).