4-[[3-(cyclopropylamino)-3-oxopropyl]amino]-3-hydroxybutanoic acid

C10H18N2O4 — CID 103256446

IUPAC4-[[3-(cyclopropylamino)-3-oxopropyl]amino]-3-hydroxybutanoic acid
SMILESO=C(O)CC(O)CNCCC(=O)NC1CC1
InChIInChI=1S/C10H18N2O4/c13-8(5-10(15)16)6-11-4-3-9(14)12-7-1-2-7/h7-8,11,13H,1-6H2,(H,12,14)(H,15,16)
InChIKeyKNNKOPQJFQETMS-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.92
Rot. Bonds8

About 4-[[3-(cyclopropylamino)-3-oxopropyl]amino]-3-hydroxybutanoic acid

4-[[3-(cyclopropylamino)-3-oxopropyl]amino]-3-hydroxybutanoic acid (PubChem CID 103256446) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 4-[[3-(cyclopropylamino)-3-oxopropyl]amino]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name4-[[3-(cyclopropylamino)-3-oxopropyl]amino]-3-hydroxybutanoic acid
PubChem CID103256446
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name4-[[3-(cyclopropylamino)-3-oxopropyl]amino]-3-hydroxybutanoic acid
SMILESO=C(O)CC(O)CNCCC(=O)NC1CC1
InChIInChI=1S/C10H18N2O4/c13-8(5-10(15)16)6-11-4-3-9(14)12-7-1-2-7/h7-8,11,13H,1-6H2,(H,12,14)(H,15,16)
InChIKeyKNNKOPQJFQETMS-UHFFFAOYSA-N
XLogP-0.92
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-3-[[3-(cyclopropylamino)-3-oxopropyl]amino]propanamide
CID 79394765
N-cyclopropyl-3-(2-methylpropylamino)propanamide
CID 62626467
4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]-3-methylbutanoic acid
CID 81070679
3-amino-4-[[3-(cyclopropylamino)-3-oxopropyl]amino]-4-oxobutanoic acid
CID 79400915
N-cyclopropyl-3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]propanamide
CID 79377805
3-[[2-(cyclopropylamino)-2-oxoethyl]amino]propanoic acid
CID 43466674
N-cyclopropyl-4-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]butanamide
CID 79394060
4-[[4-(cyclopropylamino)-4-oxobutyl]carbamoylamino]-3-methylbutanoic acid
CID 81070939
N,N'-dicyclopropylbutanediamide
CID 5225156
4-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-hydroxybutanoic acid
CID 103251562
N-cyclopropyl-4-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]butanamide
CID 79394457
N-cyclopropyl-3-(octylamino)propanamide
CID 79393740

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(cyclopropylamino)-3-oxopropyl]amino]-3-hydroxybutanoic acid?
The IUPAC name of 4-[[3-(cyclopropylamino)-3-oxopropyl]amino]-3-hydroxybutanoic acid (CID 103256446) is 4-[[3-(cyclopropylamino)-3-oxopropyl]amino]-3-hydroxybutanoic acid.
What is the SMILES notation for 4-[[3-(cyclopropylamino)-3-oxopropyl]amino]-3-hydroxybutanoic acid?
The canonical SMILES for 4-[[3-(cyclopropylamino)-3-oxopropyl]amino]-3-hydroxybutanoic acid is O=C(O)CC(O)CNCCC(=O)NC1CC1.
What is the InChIKey of 4-[[3-(cyclopropylamino)-3-oxopropyl]amino]-3-hydroxybutanoic acid?
The InChIKey is KNNKOPQJFQETMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c13-8(5-10(15)16)6-11-4-3-9(14)12-7-1-2-7/h7-8,11,13H,1-6H2,(H,12,14)(H,15,16).
What are the key properties of 4-[[3-(cyclopropylamino)-3-oxopropyl]amino]-3-hydroxybutanoic acid?
4-[[3-(cyclopropylamino)-3-oxopropyl]amino]-3-hydroxybutanoic acid has a molecular weight of 230.26 g/mol, XLogP of -0.92, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(cyclopropylamino)-3-oxopropyl]amino]-3-hydroxybutanoic acid is sourced from PubChem (CID 103256446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).