3-(2-hydroxypropylamino)-4-oxopentanoic acid

C8H15NO4 — CID 82322643

IUPAC3-(2-hydroxypropylamino)-4-oxopentanoic acid
SMILESCC(=O)C(CC(=O)O)NCC(C)O
InChIInChI=1S/C8H15NO4/c1-5(10)4-9-7(6(2)11)3-8(12)13/h5,7,9-10H,3-4H2,1-2H3,(H,12,13)
InChIKeyODZRVIWHJIKHSN-UHFFFAOYSA-N
MW189.21 g/mol
LogP-0.61
Rot. Bonds6

About 3-(2-hydroxypropylamino)-4-oxopentanoic acid

3-(2-hydroxypropylamino)-4-oxopentanoic acid (PubChem CID 82322643) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is 3-(2-hydroxypropylamino)-4-oxopentanoic acid.

Molecular Properties

Compound Name3-(2-hydroxypropylamino)-4-oxopentanoic acid
PubChem CID82322643
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name3-(2-hydroxypropylamino)-4-oxopentanoic acid
SMILESCC(=O)C(CC(=O)O)NCC(C)O
InChIInChI=1S/C8H15NO4/c1-5(10)4-9-7(6(2)11)3-8(12)13/h5,7,9-10H,3-4H2,1-2H3,(H,12,13)
InChIKeyODZRVIWHJIKHSN-UHFFFAOYSA-N
XLogP-0.61
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[(2S)-2-hydroxypropyl]amino]butanedioic acid
CID 57178792
(2S)-2-[[3-[[(1S)-1,2-dicarboxyethyl]amino]-2-methylpropyl]amino]butanedioic acid
CID 18394492
4-oxo-3-(prop-2-enylamino)pentanoic acid
CID 82322653
CID 90459779
CID 90459779
(2S)-2-(2-chloropropylamino)butanedioic acid
CID 87454603
3-(butan-2-ylamino)-4-oxopentanoic acid
CID 82322638
(3S)-3-methyl-4-oxopentanoic acid
CID 12576879
2-[(2-carboxy-2-hydroxyethyl)amino]butanedioic acid
CID 86177023
2-[2-(1,2-dicarboxyethylamino)propylamino]butanedioic acid
CID 22590659
(3S)-4-amino-4-oxo-3-(2-phosphonopropylamino)butanoic acid
CID 21307978
4-(1,3-benzodioxol-5-yl)-3-(2-hydroxypropylamino)-4-oxobutanoic acid
CID 82322629
(3S)-3-hydroxy-4-(propan-2-ylamino)butanoic acid
CID 134164837

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxypropylamino)-4-oxopentanoic acid?
The IUPAC name of 3-(2-hydroxypropylamino)-4-oxopentanoic acid (CID 82322643) is 3-(2-hydroxypropylamino)-4-oxopentanoic acid.
What is the SMILES notation for 3-(2-hydroxypropylamino)-4-oxopentanoic acid?
The canonical SMILES for 3-(2-hydroxypropylamino)-4-oxopentanoic acid is CC(=O)C(CC(=O)O)NCC(C)O.
What is the InChIKey of 3-(2-hydroxypropylamino)-4-oxopentanoic acid?
The InChIKey is ODZRVIWHJIKHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-5(10)4-9-7(6(2)11)3-8(12)13/h5,7,9-10H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 3-(2-hydroxypropylamino)-4-oxopentanoic acid?
3-(2-hydroxypropylamino)-4-oxopentanoic acid has a molecular weight of 189.21 g/mol, XLogP of -0.61, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxypropylamino)-4-oxopentanoic acid is sourced from PubChem (CID 82322643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).