3-amino-N-(1-hydroxybutan-2-yl)-2-methylpropanamide

C8H18N2O2 — CID 62668866

IUPAC3-amino-N-(1-hydroxybutan-2-yl)-2-methylpropanamide
SMILESCCC(CO)NC(=O)C(C)CN
InChIInChI=1S/C8H18N2O2/c1-3-7(5-11)10-8(12)6(2)4-9/h6-7,11H,3-5,9H2,1-2H3,(H,10,12)
InChIKeyOQZRMLYAMOZRPD-UHFFFAOYSA-N
MW174.24 g/mol
LogP-0.53
Rot. Bonds5

About 3-amino-N-(1-hydroxybutan-2-yl)-2-methylpropanamide

3-amino-N-(1-hydroxybutan-2-yl)-2-methylpropanamide (PubChem CID 62668866) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is 3-amino-N-(1-hydroxybutan-2-yl)-2-methylpropanamide.

Molecular Properties

Compound Name3-amino-N-(1-hydroxybutan-2-yl)-2-methylpropanamide
PubChem CID62668866
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name3-amino-N-(1-hydroxybutan-2-yl)-2-methylpropanamide
SMILESCCC(CO)NC(=O)C(C)CN
InChIInChI=1S/C8H18N2O2/c1-3-7(5-11)10-8(12)6(2)4-9/h6-7,11H,3-5,9H2,1-2H3,(H,10,12)
InChIKeyOQZRMLYAMOZRPD-UHFFFAOYSA-N
XLogP-0.53
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-hydroxybutan-2-yl]-2-methylbutanamide
CID 103919845
3-amino-N-[(2R)-1-hydroxypropan-2-yl]-2-methylpropanamide
CID 107218503
6-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methylheptanamide
CID 107221399
(2S)-2-amino-N-[(2S)-1-hydroxybutan-2-yl]-3-methylpentanamide
CID 107222401
2-amino-N-[(2S)-1-hydroxybutan-2-yl]pentanamide
CID 107222375
(2S)-2-amino-N-[(2S)-1-hydroxybutan-2-yl]pentanamide
CID 107571000
2-(aminomethyl)-N-(1-hydroxy-4-methylpentan-2-yl)butanamide
CID 65228765
N-(1,4-dihydroxybutan-2-yl)-2-methylbutanamide
CID 59861010
2-[(3-amino-2-methylpropanoyl)amino]-3-methylpentanoic acid
CID 62669281
2-amino-N-(1-hydroxybutan-2-yl)-4-methylpentanamide
CID 43500021
2-(carbamoylamino)-N-(1-hydroxybutan-2-yl)-4-methylpentanamide
CID 43428008
2-(carbamoylamino)-N-[(2R)-1-hydroxybutan-2-yl]-4-methylpentanamide
CID 113498876

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-hydroxybutan-2-yl)-2-methylpropanamide?
The IUPAC name of 3-amino-N-(1-hydroxybutan-2-yl)-2-methylpropanamide (CID 62668866) is 3-amino-N-(1-hydroxybutan-2-yl)-2-methylpropanamide.
What is the SMILES notation for 3-amino-N-(1-hydroxybutan-2-yl)-2-methylpropanamide?
The canonical SMILES for 3-amino-N-(1-hydroxybutan-2-yl)-2-methylpropanamide is CCC(CO)NC(=O)C(C)CN.
What is the InChIKey of 3-amino-N-(1-hydroxybutan-2-yl)-2-methylpropanamide?
The InChIKey is OQZRMLYAMOZRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-3-7(5-11)10-8(12)6(2)4-9/h6-7,11H,3-5,9H2,1-2H3,(H,10,12).
What are the key properties of 3-amino-N-(1-hydroxybutan-2-yl)-2-methylpropanamide?
3-amino-N-(1-hydroxybutan-2-yl)-2-methylpropanamide has a molecular weight of 174.24 g/mol, XLogP of -0.53, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-hydroxybutan-2-yl)-2-methylpropanamide is sourced from PubChem (CID 62668866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).