2-(hexan-3-ylamino)-3-hydroxypropanamide

C9H20N2O2 — CID 138623238

IUPAC2-(hexan-3-ylamino)-3-hydroxypropanamide
SMILESCCCC(CC)NC(CO)C(N)=O
InChIInChI=1S/C9H20N2O2/c1-3-5-7(4-2)11-8(6-12)9(10)13/h7-8,11-12H,3-6H2,1-2H3,(H2,10,13)
InChIKeyOOPZEWWITPMQOY-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.00
Rot. Bonds7

About 2-(hexan-3-ylamino)-3-hydroxypropanamide

2-(hexan-3-ylamino)-3-hydroxypropanamide (PubChem CID 138623238) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-(hexan-3-ylamino)-3-hydroxypropanamide.

Molecular Properties

Compound Name2-(hexan-3-ylamino)-3-hydroxypropanamide
PubChem CID138623238
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name2-(hexan-3-ylamino)-3-hydroxypropanamide
SMILESCCCC(CC)NC(CO)C(N)=O
InChIInChI=1S/C9H20N2O2/c1-3-5-7(4-2)11-8(6-12)9(10)13/h7-8,11-12H,3-6H2,1-2H3,(H2,10,13)
InChIKeyOOPZEWWITPMQOY-UHFFFAOYSA-N
XLogP0.00
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(pentan-3-ylamino)butanamide
CID 62899455
2-(hexan-3-ylamino)-N'-hydroxybutanimidamide
CID 77028225
2-[(1-amino-1-oxobutan-2-yl)amino]butanamide
CID 174420695
(2S)-2-[(1-amino-1-oxopentan-2-yl)amino]propanoic acid
CID 56997535
2-(hexan-3-ylcarbamoylamino)-3-hydroxypropanoic acid
CID 62117859
N-pentan-3-ylhexan-3-amine
CID 62118915
hexan-3-ylurea;molecular hydrogen
CID 143768672
3-hydroxy-2-(methylamino)propanamide
CID 14241499
(2S)-3-hydroxy-2-(methylamino)propanamide
CID 10486833
1-[[(3R)-hexan-3-yl]amino]propan-1-ol
CID 163869071
2-(carbamoylamino)pentanamide;hydrochloride
CID 155195679
2-acetamidopentanamide
CID 23273489

Frequently Asked Questions

What is the IUPAC name of 2-(hexan-3-ylamino)-3-hydroxypropanamide?
The IUPAC name of 2-(hexan-3-ylamino)-3-hydroxypropanamide (CID 138623238) is 2-(hexan-3-ylamino)-3-hydroxypropanamide.
What is the SMILES notation for 2-(hexan-3-ylamino)-3-hydroxypropanamide?
The canonical SMILES for 2-(hexan-3-ylamino)-3-hydroxypropanamide is CCCC(CC)NC(CO)C(N)=O.
What is the InChIKey of 2-(hexan-3-ylamino)-3-hydroxypropanamide?
The InChIKey is OOPZEWWITPMQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-3-5-7(4-2)11-8(6-12)9(10)13/h7-8,11-12H,3-6H2,1-2H3,(H2,10,13).
What are the key properties of 2-(hexan-3-ylamino)-3-hydroxypropanamide?
2-(hexan-3-ylamino)-3-hydroxypropanamide has a molecular weight of 188.27 g/mol, XLogP of 0.00, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hexan-3-ylamino)-3-hydroxypropanamide is sourced from PubChem (CID 138623238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).