3-hydroxy-2-[4-(propan-2-ylamino)butanoylamino]propanoic acid

C10H20N2O4 — CID 61157375

IUPAC3-hydroxy-2-[4-(propan-2-ylamino)butanoylamino]propanoic acid
SMILESCC(C)NCCCC(=O)NC(CO)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-7(2)11-5-3-4-9(14)12-8(6-13)10(15)16/h7-8,11,13H,3-6H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyQTRIZYOREGQJGU-UHFFFAOYSA-N
MW232.28 g/mol
LogP-0.67
Rot. Bonds8

About 3-hydroxy-2-[4-(propan-2-ylamino)butanoylamino]propanoic acid

3-hydroxy-2-[4-(propan-2-ylamino)butanoylamino]propanoic acid (PubChem CID 61157375) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-hydroxy-2-[4-(propan-2-ylamino)butanoylamino]propanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[4-(propan-2-ylamino)butanoylamino]propanoic acid
PubChem CID61157375
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name3-hydroxy-2-[4-(propan-2-ylamino)butanoylamino]propanoic acid
SMILESCC(C)NCCCC(=O)NC(CO)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-7(2)11-5-3-4-9(14)12-8(6-13)10(15)16/h7-8,11,13H,3-6H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyQTRIZYOREGQJGU-UHFFFAOYSA-N
XLogP-0.67
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-0.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-hydroxy-2-[4-(propan-2-ylamino)butanoylamino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(propan-2-ylamino)butanoylamino]pentanoic acid
CID 61160086
(2R)-2-[4-(propan-2-ylamino)butanoylamino]pentanoic acid
CID 107565030
(2S)-2-[4-(propan-2-ylamino)butanoylamino]pentanedioic acid
CID 61160968
(2R)-3-phenyl-2-[4-(propan-2-ylamino)butanoylamino]propanoic acid
CID 104902040
(2S)-3-hydroxy-2-(4-methylpentanoylamino)propanoic acid
CID 28778534
(2S)-2-(hexadecanoylamino)-3-hydroxypropanoic acid
CID 6453686
(2S)-2-(dodecanoylamino)-3-hydroxypropanoic acid;hydrate
CID 71347237
18-[[(1S)-1-carboxy-4-[[(1S)-1-carboxy-4-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-4-oxobutyl]amino]-4-oxobutyl]amino]-18-oxooctadecanoic acid
CID 129026855
2-(7-aminoheptanoylamino)-3-hydroxypropanoic acid
CID 61157743
(2S)-3-(1H-imidazol-5-yl)-2-[4-(propan-2-ylamino)butanoylamino]propanoic acid
CID 61173859
N-methyl-4-(propan-2-ylamino)butanamide
CID 21054795
N-[1-(ethylamino)-1-oxopropan-2-yl]-4-(propan-2-ylamino)butanamide
CID 60850068

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[4-(propan-2-ylamino)butanoylamino]propanoic acid?
The IUPAC name of 3-hydroxy-2-[4-(propan-2-ylamino)butanoylamino]propanoic acid (CID 61157375) is 3-hydroxy-2-[4-(propan-2-ylamino)butanoylamino]propanoic acid.
What is the SMILES notation for 3-hydroxy-2-[4-(propan-2-ylamino)butanoylamino]propanoic acid?
The canonical SMILES for 3-hydroxy-2-[4-(propan-2-ylamino)butanoylamino]propanoic acid is CC(C)NCCCC(=O)NC(CO)C(=O)O.
What is the InChIKey of 3-hydroxy-2-[4-(propan-2-ylamino)butanoylamino]propanoic acid?
The InChIKey is QTRIZYOREGQJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-7(2)11-5-3-4-9(14)12-8(6-13)10(15)16/h7-8,11,13H,3-6H2,1-2H3,(H,12,14)(H,15,16).
What are the key properties of 3-hydroxy-2-[4-(propan-2-ylamino)butanoylamino]propanoic acid?
3-hydroxy-2-[4-(propan-2-ylamino)butanoylamino]propanoic acid has a molecular weight of 232.28 g/mol, XLogP of -0.67, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[4-(propan-2-ylamino)butanoylamino]propanoic acid is sourced from PubChem (CID 61157375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).