(2S)-2-amino-N-[2-[(2-hydroxy-2,4-dimethylpentyl)amino]-2-oxoethyl]-3-methylbutanamide

C14H29N3O3 — CID 82962399

IUPAC(2S)-2-amino-N-[2-[(2-hydroxy-2,4-dimethylpentyl)amino]-2-oxoethyl]-3-methylbutanamide
SMILESCC(C)CC(C)(O)CNC(=O)CNC(=O)[C@@H](N)C(C)C
InChIInChI=1S/C14H29N3O3/c1-9(2)6-14(5,20)8-17-11(18)7-16-13(19)12(15)10(3)4/h9-10,12,20H,6-8,15H2,1-5H3,(H,16,19)(H,17,18)/t12-,14?/m0/s1
InChIKeyJMDRVWOUIUEMMB-NBFOIZRFSA-N
MW287.40 g/mol
LogP-0.00
Rot. Bonds8

About (2S)-2-amino-N-[2-[(2-hydroxy-2,4-dimethylpentyl)amino]-2-oxoethyl]-3-methylbutanamide

(2S)-2-amino-N-[2-[(2-hydroxy-2,4-dimethylpentyl)amino]-2-oxoethyl]-3-methylbutanamide (PubChem CID 82962399) has the molecular formula C14H29N3O3 and a molecular weight of 287.40 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-[(2-hydroxy-2,4-dimethylpentyl)amino]-2-oxoethyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-[(2-hydroxy-2,4-dimethylpentyl)amino]-2-oxoethyl]-3-methylbutanamide
PubChem CID82962399
Molecular FormulaC14H29N3O3
Molecular Weight287.40 g/mol
Exact Mass287.22
IUPAC Name(2S)-2-amino-N-[2-[(2-hydroxy-2,4-dimethylpentyl)amino]-2-oxoethyl]-3-methylbutanamide
SMILESCC(C)CC(C)(O)CNC(=O)CNC(=O)[C@@H](N)C(C)C
InChIInChI=1S/C14H29N3O3/c1-9(2)6-14(5,20)8-17-11(18)7-16-13(19)12(15)10(3)4/h9-10,12,20H,6-8,15H2,1-5H3,(H,16,19)(H,17,18)/t12-,14?/m0/s1
InChIKeyJMDRVWOUIUEMMB-NBFOIZRFSA-N
XLogP-0.00
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 5-0.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-N-[2-[(2-hydroxy-2,4-dimethylpentyl)amino]-2-oxoethyl]-3-methylbutanamide with MolForge

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Related Compounds

2-acetamido-N-(2-hydroxy-2,4-dimethylpentyl)acetamide
CID 66178769
4-amino-N-(2-hydroxy-2,4-dimethylpentyl)pentanamide
CID 66172265
(2S)-2-amino-N-[2-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-oxoethyl]-3-methylbutanamide
CID 106148305
(2R)-2-amino-N-(2-hydroxy-2,4-dimethylpentyl)-4-methylpentanamide
CID 104903660
2-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]acetic acid
CID 7004847
N-(2-hydroxy-2,4-dimethylpentyl)-2-methylpropanamide
CID 66180454
(2S)-2-amino-N-[2-[(3-hydroxy-2-methylbutan-2-yl)amino]-2-oxoethyl]-3-methylbutanamide
CID 104873662
(2R)-2-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]-3,3-dimethylbutanoic acid
CID 103927284
(2S)-2-amino-N-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-oxoethyl]-3-methylbutanamide
CID 107852819
N-(2-hydroxy-2,4-dimethylpentyl)pentanamide
CID 66178352
(2S)-2-amino-N-[2-(butylamino)-2-oxoethyl]-3-methylbutanamide
CID 82962524
(2S)-2-amino-3-methyl-N-[2-(4-methylpentan-2-ylamino)-2-oxoethyl]butanamide
CID 82961438

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-[(2-hydroxy-2,4-dimethylpentyl)amino]-2-oxoethyl]-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-[2-[(2-hydroxy-2,4-dimethylpentyl)amino]-2-oxoethyl]-3-methylbutanamide (CID 82962399) is (2S)-2-amino-N-[2-[(2-hydroxy-2,4-dimethylpentyl)amino]-2-oxoethyl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-[(2-hydroxy-2,4-dimethylpentyl)amino]-2-oxoethyl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[2-[(2-hydroxy-2,4-dimethylpentyl)amino]-2-oxoethyl]-3-methylbutanamide is CC(C)CC(C)(O)CNC(=O)CNC(=O)[C@@H](N)C(C)C.
What is the InChIKey of (2S)-2-amino-N-[2-[(2-hydroxy-2,4-dimethylpentyl)amino]-2-oxoethyl]-3-methylbutanamide?
The InChIKey is JMDRVWOUIUEMMB-NBFOIZRFSA-N. The full InChI is InChI=1S/C14H29N3O3/c1-9(2)6-14(5,20)8-17-11(18)7-16-13(19)12(15)10(3)4/h9-10,12,20H,6-8,15H2,1-5H3,(H,16,19)(H,17,18)/t12-,14?/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-[(2-hydroxy-2,4-dimethylpentyl)amino]-2-oxoethyl]-3-methylbutanamide?
(2S)-2-amino-N-[2-[(2-hydroxy-2,4-dimethylpentyl)amino]-2-oxoethyl]-3-methylbutanamide has a molecular weight of 287.40 g/mol, XLogP of -0.00, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-[(2-hydroxy-2,4-dimethylpentyl)amino]-2-oxoethyl]-3-methylbutanamide is sourced from PubChem (CID 82962399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).