(2S)-2-amino-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbutanamide

C10H20N2O2 — CID 104873901

IUPAC(2S)-2-amino-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)NC1(CO)CCC1
InChIInChI=1S/C10H20N2O2/c1-7(2)8(11)9(14)12-10(6-13)4-3-5-10/h7-8,13H,3-6,11H2,1-2H3,(H,12,14)/t8-/m0/s1
InChIKeyQSNCXTXWNLSSFQ-QMMMGPOBSA-N
MW200.28 g/mol
LogP0.00
Rot. Bonds4

About (2S)-2-amino-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbutanamide

(2S)-2-amino-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbutanamide (PubChem CID 104873901) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbutanamide
PubChem CID104873901
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name(2S)-2-amino-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)NC1(CO)CCC1
InChIInChI=1S/C10H20N2O2/c1-7(2)8(11)9(14)12-10(6-13)4-3-5-10/h7-8,13H,3-6,11H2,1-2H3,(H,12,14)/t8-/m0/s1
InChIKeyQSNCXTXWNLSSFQ-QMMMGPOBSA-N
XLogP0.00
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(hydroxymethyl)cyclobutyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 116364103
(2S)-2-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methylbutanamide
CID 11183292
(2S)-2-amino-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-methylbutanamide
CID 16736971
2-amino-N-(1-hydroxybutan-2-yl)-4-methylpentanamide
CID 43500021
(2R)-2,5-diamino-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]pentanamide
CID 57077113
(2S)-2-amino-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-4-methylpentanamide
CID 57310713
(2S)-2-amino-N-[1-(hydroxymethyl)cyclopropyl]-3,3-dimethylbutanamide
CID 58124589
[(2S)-1-[[(2S)-1-hydroxy-4-methylpentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]azanium
CID 59029555
(2S)-2-amino-N-(1-hydroxy-4-methylpentan-2-yl)-4-methylpentanamide
CID 61245572
2-amino-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylbutanamide
CID 61247040
2-amino-N-(1,3-dihydroxypropan-2-yl)-3-methylbutanamide
CID 65314192
(2S)-2-amino-N-(1,3-dihydroxypropan-2-yl)-3-methylbutanamide
CID 65314803

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbutanamide (CID 104873901) is (2S)-2-amino-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbutanamide is CC(C)[C@H](N)C(=O)NC1(CO)CCC1.
What is the InChIKey of (2S)-2-amino-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbutanamide?
The InChIKey is QSNCXTXWNLSSFQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-7(2)8(11)9(14)12-10(6-13)4-3-5-10/h7-8,13H,3-6,11H2,1-2H3,(H,12,14)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbutanamide?
(2S)-2-amino-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbutanamide has a molecular weight of 200.28 g/mol, XLogP of 0.00, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbutanamide is sourced from PubChem (CID 104873901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).