2-(cyclopropylamino)-N-[(2S)-1-hydroxybutan-2-yl]acetamide

C9H18N2O2 — CID 107222480

IUPAC2-(cyclopropylamino)-N-[(2S)-1-hydroxybutan-2-yl]acetamide
SMILESCC[C@@H](CO)NC(=O)CNC1CC1
InChIInChI=1S/C9H18N2O2/c1-2-7(6-12)11-9(13)5-10-8-3-4-8/h7-8,10,12H,2-6H2,1H3,(H,11,13)/t7-/m0/s1
InChIKeyQBEDFXYKCNLYKC-ZETCQYMHSA-N
MW186.25 g/mol
LogP-0.37
Rot. Bonds6

About 2-(cyclopropylamino)-N-[(2S)-1-hydroxybutan-2-yl]acetamide

2-(cyclopropylamino)-N-[(2S)-1-hydroxybutan-2-yl]acetamide (PubChem CID 107222480) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-[(2S)-1-hydroxybutan-2-yl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-[(2S)-1-hydroxybutan-2-yl]acetamide
PubChem CID107222480
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name2-(cyclopropylamino)-N-[(2S)-1-hydroxybutan-2-yl]acetamide
SMILESCC[C@@H](CO)NC(=O)CNC1CC1
InChIInChI=1S/C9H18N2O2/c1-2-7(6-12)11-9(13)5-10-8-3-4-8/h7-8,10,12H,2-6H2,1H3,(H,11,13)/t7-/m0/s1
InChIKeyQBEDFXYKCNLYKC-ZETCQYMHSA-N
XLogP-0.37
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclobutylamino)-N-pentan-3-ylacetamide
CID 62413978
2-(cyclopropylamino)-N-(2-methylpentan-3-yl)acetamide
CID 61470431
N-[(2S)-1-hydroxybutan-2-yl]-2-(methylamino)acetamide
CID 107222412
2-[(3,5-dimethylcyclohexyl)amino]-N-pentan-3-ylacetamide
CID 64734046
2-(cyclopropylamino)-N-(4-hydroxy-3-methylbutan-2-yl)acetamide;hydrochloride
CID 110012022
(2S,3S)-2-[[2-(cyclopropylamino)acetyl]amino]-3-methylpentanoic acid
CID 61172077
2-(1,3-dihydroxypropan-2-ylamino)-N-pentan-3-ylacetamide
CID 65313831
3-(cyclopropylamino)-N-(1,3-dihydroxypropan-2-yl)propanamide
CID 65314564
3-[[2-(cyclopropylamino)acetyl]amino]butanoic acid
CID 61160049
2-(cyclopropylamino)-N-(dicyclopropylmethyl)acetamide
CID 60720684
2-(cyclopentylamino)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]acetamide
CID 107860961
2-[[2-(cyclopropylamino)acetyl]amino]propanamide
CID 60842858

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-[(2S)-1-hydroxybutan-2-yl]acetamide?
The IUPAC name of 2-(cyclopropylamino)-N-[(2S)-1-hydroxybutan-2-yl]acetamide (CID 107222480) is 2-(cyclopropylamino)-N-[(2S)-1-hydroxybutan-2-yl]acetamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-[(2S)-1-hydroxybutan-2-yl]acetamide?
The canonical SMILES for 2-(cyclopropylamino)-N-[(2S)-1-hydroxybutan-2-yl]acetamide is CC[C@@H](CO)NC(=O)CNC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-N-[(2S)-1-hydroxybutan-2-yl]acetamide?
The InChIKey is QBEDFXYKCNLYKC-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-2-7(6-12)11-9(13)5-10-8-3-4-8/h7-8,10,12H,2-6H2,1H3,(H,11,13)/t7-/m0/s1.
What are the key properties of 2-(cyclopropylamino)-N-[(2S)-1-hydroxybutan-2-yl]acetamide?
2-(cyclopropylamino)-N-[(2S)-1-hydroxybutan-2-yl]acetamide has a molecular weight of 186.25 g/mol, XLogP of -0.37, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-[(2S)-1-hydroxybutan-2-yl]acetamide is sourced from PubChem (CID 107222480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).