(2R)-2-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-methylbutanamide

C11H22N2O2 — CID 104969427

IUPAC(2R)-2-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-methylbutanamide
SMILESCC(C)[C@@H](N)C(=O)NCC1(CCO)CC1
InChIInChI=1S/C11H22N2O2/c1-8(2)9(12)10(15)13-7-11(3-4-11)5-6-14/h8-9,14H,3-7,12H2,1-2H3,(H,13,15)/t9-/m1/s1
InChIKeyUFVHBIMFVYMBSQ-SECBINFHSA-N
MW214.31 g/mol
LogP0.25
Rot. Bonds6

About (2R)-2-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-methylbutanamide

(2R)-2-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-methylbutanamide (PubChem CID 104969427) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (2R)-2-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-methylbutanamide
PubChem CID104969427
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name(2R)-2-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-methylbutanamide
SMILESCC(C)[C@@H](N)C(=O)NCC1(CCO)CC1
InChIInChI=1S/C11H22N2O2/c1-8(2)9(12)10(15)13-7-11(3-4-11)5-6-14/h8-9,14H,3-7,12H2,1-2H3,(H,13,15)/t9-/m1/s1
InChIKeyUFVHBIMFVYMBSQ-SECBINFHSA-N
XLogP0.25
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3,3-dimethylbutanamide
CID 114756823
(2S)-2-amino-3-methyl-N-[(1-propylcyclopropyl)methyl]pentanamide
CID 103833324
(2S)-2-amino-N-[(1-hydroxycyclohexyl)methyl]-3-methylbutanamide
CID 65106150
2-[1-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]cyclobutyl]acetic acid
CID 81161542
1-[[[(2S)-2-amino-3-methylbutanoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115450630
N-[[1-(2-hydroxyethyl)cyclopentyl]methyl]-2-methyl-3-(methylamino)propanamide
CID 119817819
1-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115436415
(2S)-2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylpentanamide
CID 113293910
2-amino-3,3-dimethyl-N-[(1-propylcyclopropyl)methyl]butanamide
CID 103827771
2-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylbutanamide
CID 65120338
1-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-propylurea
CID 114749715
(2S)-2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propanamide
CID 115360089

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-methylbutanamide?
The IUPAC name of (2R)-2-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-methylbutanamide (CID 104969427) is (2R)-2-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-methylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-methylbutanamide?
The canonical SMILES for (2R)-2-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-methylbutanamide is CC(C)[C@@H](N)C(=O)NCC1(CCO)CC1.
What is the InChIKey of (2R)-2-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-methylbutanamide?
The InChIKey is UFVHBIMFVYMBSQ-SECBINFHSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8(2)9(12)10(15)13-7-11(3-4-11)5-6-14/h8-9,14H,3-7,12H2,1-2H3,(H,13,15)/t9-/m1/s1.
What are the key properties of (2R)-2-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-methylbutanamide?
(2R)-2-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-methylbutanamide has a molecular weight of 214.31 g/mol, XLogP of 0.25, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-methylbutanamide is sourced from PubChem (CID 104969427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).