2-cyclopropyl-2-[[4-(cyclopropylamino)-4-oxobutyl]carbamoylamino]acetic acid

C13H21N3O4 — CID 79400967

IUPAC2-cyclopropyl-2-[[4-(cyclopropylamino)-4-oxobutyl]carbamoylamino]acetic acid
SMILESO=C(CCCNC(=O)NC(C(=O)O)C1CC1)NC1CC1
InChIInChI=1S/C13H21N3O4/c17-10(15-9-5-6-9)2-1-7-14-13(20)16-11(12(18)19)8-3-4-8/h8-9,11H,1-7H2,(H,15,17)(H,18,19)(H2,14,16,20)
InChIKeyOXNRYYBDTIYVCF-UHFFFAOYSA-N
MW283.33 g/mol
LogP0.21
Rot. Bonds8

About 2-cyclopropyl-2-[[4-(cyclopropylamino)-4-oxobutyl]carbamoylamino]acetic acid

2-cyclopropyl-2-[[4-(cyclopropylamino)-4-oxobutyl]carbamoylamino]acetic acid (PubChem CID 79400967) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[4-(cyclopropylamino)-4-oxobutyl]carbamoylamino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[4-(cyclopropylamino)-4-oxobutyl]carbamoylamino]acetic acid
PubChem CID79400967
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Name2-cyclopropyl-2-[[4-(cyclopropylamino)-4-oxobutyl]carbamoylamino]acetic acid
SMILESO=C(CCCNC(=O)NC(C(=O)O)C1CC1)NC1CC1
InChIInChI=1S/C13H21N3O4/c17-10(15-9-5-6-9)2-1-7-14-13(20)16-11(12(18)19)8-3-4-8/h8-9,11H,1-7H2,(H,15,17)(H,18,19)(H2,14,16,20)
InChIKeyOXNRYYBDTIYVCF-UHFFFAOYSA-N
XLogP0.21
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 50.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropyl-2-(4-methylpentylcarbamoylamino)acetic acid
CID 63002690
N-cyclopropyl-4-(methylcarbamoylamino)butanamide
CID 115582642
2-cyclopropyl-2-[4-(dimethylamino)butylcarbamoylamino]acetic acid
CID 55107728
2-cyclohexyl-2-[3-(methylamino)propylcarbamoylamino]acetic acid
CID 61404684
4-[[4-(cyclopropylamino)-4-oxobutyl]carbamoylamino]-3-methylbutanoic acid
CID 81070939
2-cyclopropyl-2-[4-(methylamino)butanoylamino]acetic acid
CID 62696021
2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]-3-methylbutanoic acid
CID 79400813
(2R)-2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]butanoic acid
CID 79401646
2-cyclopropyl-2-[2-(dimethylamino)ethylcarbamoylamino]acetic acid
CID 62695644
2-cyclohexyl-2-(propylcarbamoylamino)acetic acid
CID 61014378
4-(carbamoylamino)-N-cyclopropylbutanamide
CID 78907158
N-cyclopropyl-4-(1-cyclopropylethylamino)butanamide
CID 79394178

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[4-(cyclopropylamino)-4-oxobutyl]carbamoylamino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[[4-(cyclopropylamino)-4-oxobutyl]carbamoylamino]acetic acid (CID 79400967) is 2-cyclopropyl-2-[[4-(cyclopropylamino)-4-oxobutyl]carbamoylamino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[4-(cyclopropylamino)-4-oxobutyl]carbamoylamino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[[4-(cyclopropylamino)-4-oxobutyl]carbamoylamino]acetic acid is O=C(CCCNC(=O)NC(C(=O)O)C1CC1)NC1CC1.
What is the InChIKey of 2-cyclopropyl-2-[[4-(cyclopropylamino)-4-oxobutyl]carbamoylamino]acetic acid?
The InChIKey is OXNRYYBDTIYVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c17-10(15-9-5-6-9)2-1-7-14-13(20)16-11(12(18)19)8-3-4-8/h8-9,11H,1-7H2,(H,15,17)(H,18,19)(H2,14,16,20).
What are the key properties of 2-cyclopropyl-2-[[4-(cyclopropylamino)-4-oxobutyl]carbamoylamino]acetic acid?
2-cyclopropyl-2-[[4-(cyclopropylamino)-4-oxobutyl]carbamoylamino]acetic acid has a molecular weight of 283.33 g/mol, XLogP of 0.21, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[4-(cyclopropylamino)-4-oxobutyl]carbamoylamino]acetic acid is sourced from PubChem (CID 79400967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).