2-hydroxy-3-(pentan-2-ylamino)propanamide

C8H18N2O2 — CID 106171090

IUPAC2-hydroxy-3-(pentan-2-ylamino)propanamide
SMILESCCCC(C)NCC(O)C(N)=O
InChIInChI=1S/C8H18N2O2/c1-3-4-6(2)10-5-7(11)8(9)12/h6-7,10-11H,3-5H2,1-2H3,(H2,9,12)
InChIKeyFNPWKQKJUYPZOG-UHFFFAOYSA-N
MW174.24 g/mol
LogP-0.39
Rot. Bonds6

About 2-hydroxy-3-(pentan-2-ylamino)propanamide

2-hydroxy-3-(pentan-2-ylamino)propanamide (PubChem CID 106171090) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is 2-hydroxy-3-(pentan-2-ylamino)propanamide.

Molecular Properties

Compound Name2-hydroxy-3-(pentan-2-ylamino)propanamide
PubChem CID106171090
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name2-hydroxy-3-(pentan-2-ylamino)propanamide
SMILESCCCC(C)NCC(O)C(N)=O
InChIInChI=1S/C8H18N2O2/c1-3-4-6(2)10-5-7(11)8(9)12/h6-7,10-11H,3-5H2,1-2H3,(H2,9,12)
InChIKeyFNPWKQKJUYPZOG-UHFFFAOYSA-N
XLogP-0.39
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-Hydroxypropanoylamino)propyl-trimethylazanium
CID 52045
N-(3-amino-4-fluorobutyl)-2-hydroxypropanamide
CID 123480623
2-Hydroxy-n-pentylpropanamide
CID 220270
(2S)-N-[3-(dimethylamino)propyl]-2-hydroxypropanamide
CID 44244357
Lactamide, N-(3-(dibutylamino)propyl)-
CID 3030790
Lactamide, N-(4-(diethylamino)butyl)-
CID 3030791
3-(1,1-Difluoropropan-2-ylamino)-2-hydroxypropanamide
CID 106170805
2-Hydroxy-3-(6,6,6-trifluorohexan-2-ylamino)propanamide
CID 106171924
2-hydroxy-N-methyl-3-(methylamino)butanamide
CID 18728953
3-acetamido-2-hydroxy-N-methylbutanamide
CID 18728954
3-amino-N-ethyl-2-hydroxybutanamide
CID 20711961
3-(Cyclopropylamino)-2-hydroxypropanamide
CID 21957585

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(pentan-2-ylamino)propanamide?
The IUPAC name of 2-hydroxy-3-(pentan-2-ylamino)propanamide (CID 106171090) is 2-hydroxy-3-(pentan-2-ylamino)propanamide.
What is the SMILES notation for 2-hydroxy-3-(pentan-2-ylamino)propanamide?
The canonical SMILES for 2-hydroxy-3-(pentan-2-ylamino)propanamide is CCCC(C)NCC(O)C(N)=O.
What is the InChIKey of 2-hydroxy-3-(pentan-2-ylamino)propanamide?
The InChIKey is FNPWKQKJUYPZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-3-4-6(2)10-5-7(11)8(9)12/h6-7,10-11H,3-5H2,1-2H3,(H2,9,12).
What are the key properties of 2-hydroxy-3-(pentan-2-ylamino)propanamide?
2-hydroxy-3-(pentan-2-ylamino)propanamide has a molecular weight of 174.24 g/mol, XLogP of -0.39, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(pentan-2-ylamino)propanamide is sourced from PubChem (CID 106171090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).