(2R)-2-amino-N-[3-(hydroxymethyl)pentan-3-yl]-3,3-dimethylbutanamide

C12H26N2O2 — CID 103929829

IUPAC(2R)-2-amino-N-[3-(hydroxymethyl)pentan-3-yl]-3,3-dimethylbutanamide
SMILESCCC(CC)(CO)NC(=O)[C@H](N)C(C)(C)C
InChIInChI=1S/C12H26N2O2/c1-6-12(7-2,8-15)14-10(16)9(13)11(3,4)5/h9,15H,6-8,13H2,1-5H3,(H,14,16)/t9-/m0/s1
InChIKeyNKHMESRHKKJCGH-VIFPVBQESA-N
MW230.35 g/mol
LogP1.03
Rot. Bonds5

About (2R)-2-amino-N-[3-(hydroxymethyl)pentan-3-yl]-3,3-dimethylbutanamide

(2R)-2-amino-N-[3-(hydroxymethyl)pentan-3-yl]-3,3-dimethylbutanamide (PubChem CID 103929829) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is (2R)-2-amino-N-[3-(hydroxymethyl)pentan-3-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[3-(hydroxymethyl)pentan-3-yl]-3,3-dimethylbutanamide
PubChem CID103929829
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name(2R)-2-amino-N-[3-(hydroxymethyl)pentan-3-yl]-3,3-dimethylbutanamide
SMILESCCC(CC)(CO)NC(=O)[C@H](N)C(C)(C)C
InChIInChI=1S/C12H26N2O2/c1-6-12(7-2,8-15)14-10(16)9(13)11(3,4)5/h9,15H,6-8,13H2,1-5H3,(H,14,16)/t9-/m0/s1
InChIKeyNKHMESRHKKJCGH-VIFPVBQESA-N
XLogP1.03
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3,3-dimethylbutanamide
CID 61154008
2-[(2-amino-3,3-dimethylbutanoyl)amino]-2-ethylbutanoic acid
CID 112555766
2-bromo-N-[3-(hydroxymethyl)pentan-3-yl]butanamide
CID 62856180
(2R)-2-amino-N-(4-hydroxy-2-methylbutan-2-yl)-3,3-dimethylbutanamide
CID 104873423
3-amino-N-[3-(hydroxymethyl)pentan-3-yl]-3-methylbutanamide
CID 64676838
2-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-methylbutanamide
CID 107852750
(2R)-2-amino-N-[3-(hydroxymethyl)pentan-3-yl]-2-phenylacetamide
CID 62520326
2-chloro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide
CID 107865103
2-bromo-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide
CID 107906051
2-amino-3,3-dimethyl-N-(2,4,4-trimethylpentan-2-yl)butanamide
CID 76887560
2-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methylbutanamide
CID 107865579
(2R)-2-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-methylsulfanylbutanamide
CID 107865640

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[3-(hydroxymethyl)pentan-3-yl]-3,3-dimethylbutanamide?
The IUPAC name of (2R)-2-amino-N-[3-(hydroxymethyl)pentan-3-yl]-3,3-dimethylbutanamide (CID 103929829) is (2R)-2-amino-N-[3-(hydroxymethyl)pentan-3-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-[3-(hydroxymethyl)pentan-3-yl]-3,3-dimethylbutanamide?
The canonical SMILES for (2R)-2-amino-N-[3-(hydroxymethyl)pentan-3-yl]-3,3-dimethylbutanamide is CCC(CC)(CO)NC(=O)[C@H](N)C(C)(C)C.
What is the InChIKey of (2R)-2-amino-N-[3-(hydroxymethyl)pentan-3-yl]-3,3-dimethylbutanamide?
The InChIKey is NKHMESRHKKJCGH-VIFPVBQESA-N. The full InChI is InChI=1S/C12H26N2O2/c1-6-12(7-2,8-15)14-10(16)9(13)11(3,4)5/h9,15H,6-8,13H2,1-5H3,(H,14,16)/t9-/m0/s1.
What are the key properties of (2R)-2-amino-N-[3-(hydroxymethyl)pentan-3-yl]-3,3-dimethylbutanamide?
(2R)-2-amino-N-[3-(hydroxymethyl)pentan-3-yl]-3,3-dimethylbutanamide has a molecular weight of 230.35 g/mol, XLogP of 1.03, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[3-(hydroxymethyl)pentan-3-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 103929829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).