(2S)-2-(tert-butylamino)-3-methyl-N-[(2S)-4-methyl-3-oxopentan-2-yl]butanamide

C15H30N2O2 — CID 138482618

IUPAC(2S)-2-(tert-butylamino)-3-methyl-N-[(2S)-4-methyl-3-oxopentan-2-yl]butanamide
SMILESCC(C)C(=O)[C@H](C)NC(=O)[C@@H](NC(C)(C)C)C(C)C
InChIInChI=1S/C15H30N2O2/c1-9(2)12(17-15(6,7)8)14(19)16-11(5)13(18)10(3)4/h9-12,17H,1-8H3,(H,16,19)/t11-,12-/m0/s1
InChIKeyNCMOLNGKJNSQKH-RYUDHWBXSA-N
MW270.42 g/mol
LogP2.13
Rot. Bonds6

About (2S)-2-(tert-butylamino)-3-methyl-N-[(2S)-4-methyl-3-oxopentan-2-yl]butanamide

(2S)-2-(tert-butylamino)-3-methyl-N-[(2S)-4-methyl-3-oxopentan-2-yl]butanamide (PubChem CID 138482618) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is (2S)-2-(tert-butylamino)-3-methyl-N-[(2S)-4-methyl-3-oxopentan-2-yl]butanamide.

Molecular Properties

Compound Name(2S)-2-(tert-butylamino)-3-methyl-N-[(2S)-4-methyl-3-oxopentan-2-yl]butanamide
PubChem CID138482618
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name(2S)-2-(tert-butylamino)-3-methyl-N-[(2S)-4-methyl-3-oxopentan-2-yl]butanamide
SMILESCC(C)C(=O)[C@H](C)NC(=O)[C@@H](NC(C)(C)C)C(C)C
InChIInChI=1S/C15H30N2O2/c1-9(2)12(17-15(6,7)8)14(19)16-11(5)13(18)10(3)4/h9-12,17H,1-8H3,(H,16,19)/t11-,12-/m0/s1
InChIKeyNCMOLNGKJNSQKH-RYUDHWBXSA-N
XLogP2.13
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-(tert-butylamino)-3-methyl-N-[(2S)-4-methyl-3-oxopentan-2-yl]butanamide with MolForge

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Related Compounds

(2S)-2-(tert-butylamino)-N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]-3-methylbutanamide
CID 166671320
2-(tert-butylamino)-4-methylpentan-3-one
CID 134376563
(2S)-2-(tert-butylamino)-N-[(4S)-1-(carbamoylamino)-6-methyl-5-oxoheptan-4-yl]-3-methylbutanamide
CID 149486153
(2S)-2-(tert-butylamino)-3-methylbutanoic acid
CID 12837673
[4-[[(2S)-2-[[(2S)-2-(tert-butylamino)-3-methylbutanoyl]amino]propanoyl]amino]phenyl]methyl 2-methylpropanoate
CID 171770835
N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]-3-methyl-2-(propanoylamino)butanamide
CID 146263980
(2R)-2-[[(2S)-2-(tert-butylamino)propanoyl]amino]propanoic acid
CID 130454125
3,3-dimethyl-N-(4-methyl-3-oxopentan-2-yl)butanamide
CID 89004719
tert-butyl (2S)-2-[[(2S)-2-(tert-butylamino)-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoate
CID 129302870
methyl 2-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]propanoate
CID 5191446
(2S)-N-[(2S)-1-[[(2S)-4-methyl-3-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-2-(propan-2-ylamino)propanamide;molecular hydrogen
CID 170704997
2-formamido-3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide
CID 145262331

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(tert-butylamino)-3-methyl-N-[(2S)-4-methyl-3-oxopentan-2-yl]butanamide?
The IUPAC name of (2S)-2-(tert-butylamino)-3-methyl-N-[(2S)-4-methyl-3-oxopentan-2-yl]butanamide (CID 138482618) is (2S)-2-(tert-butylamino)-3-methyl-N-[(2S)-4-methyl-3-oxopentan-2-yl]butanamide.
What is the SMILES notation for (2S)-2-(tert-butylamino)-3-methyl-N-[(2S)-4-methyl-3-oxopentan-2-yl]butanamide?
The canonical SMILES for (2S)-2-(tert-butylamino)-3-methyl-N-[(2S)-4-methyl-3-oxopentan-2-yl]butanamide is CC(C)C(=O)[C@H](C)NC(=O)[C@@H](NC(C)(C)C)C(C)C.
What is the InChIKey of (2S)-2-(tert-butylamino)-3-methyl-N-[(2S)-4-methyl-3-oxopentan-2-yl]butanamide?
The InChIKey is NCMOLNGKJNSQKH-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-9(2)12(17-15(6,7)8)14(19)16-11(5)13(18)10(3)4/h9-12,17H,1-8H3,(H,16,19)/t11-,12-/m0/s1.
What are the key properties of (2S)-2-(tert-butylamino)-3-methyl-N-[(2S)-4-methyl-3-oxopentan-2-yl]butanamide?
(2S)-2-(tert-butylamino)-3-methyl-N-[(2S)-4-methyl-3-oxopentan-2-yl]butanamide has a molecular weight of 270.42 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(tert-butylamino)-3-methyl-N-[(2S)-4-methyl-3-oxopentan-2-yl]butanamide is sourced from PubChem (CID 138482618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).