2-[3-(cyclopropylamino)propylcarbamoyl-(cyclopropylmethyl)amino]acetic acid

C13H23N3O3 — CID 61408059

IUPAC2-[3-(cyclopropylamino)propylcarbamoyl-(cyclopropylmethyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)NCCCNC1CC1
InChIInChI=1S/C13H23N3O3/c17-12(18)9-16(8-10-2-3-10)13(19)15-7-1-6-14-11-4-5-11/h10-11,14H,1-9H2,(H,15,19)(H,17,18)
InChIKeyGLMGYXNXNBGSSI-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.63
Rot. Bonds9

About 2-[3-(cyclopropylamino)propylcarbamoyl-(cyclopropylmethyl)amino]acetic acid

2-[3-(cyclopropylamino)propylcarbamoyl-(cyclopropylmethyl)amino]acetic acid (PubChem CID 61408059) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[3-(cyclopropylamino)propylcarbamoyl-(cyclopropylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[3-(cyclopropylamino)propylcarbamoyl-(cyclopropylmethyl)amino]acetic acid
PubChem CID61408059
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name2-[3-(cyclopropylamino)propylcarbamoyl-(cyclopropylmethyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)NCCCNC1CC1
InChIInChI=1S/C13H23N3O3/c17-12(18)9-16(8-10-2-3-10)13(19)15-7-1-6-14-11-4-5-11/h10-11,14H,1-9H2,(H,15,19)(H,17,18)
InChIKeyGLMGYXNXNBGSSI-UHFFFAOYSA-N
XLogP0.63
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(cyclopropanecarbonylamino)ethylcarbamoyl-(cyclopropylmethyl)amino]acetic acid
CID 103994352
2-[cyclopropylmethyl-[[3-(ethylamino)-3-oxopropyl]carbamoyl]amino]acetic acid
CID 113410869
2-[cyclopropylmethyl-[2-(2-methylpropoxy)ethylcarbamoyl]amino]acetic acid
CID 103996414
2-[cyclopropylmethyl-[(2-methylcyclopropyl)methylcarbamoyl]amino]acetic acid
CID 103995923
2-[2-(4-chlorophenyl)ethylcarbamoyl-(cyclopropylmethyl)amino]acetic acid
CID 61380602
2-[cyclopropylmethyl(2-pyrazol-1-ylethylcarbamoyl)amino]acetic acid
CID 61461201
4-[[cyclopropylmethyl-[(4-hydroxyphenyl)methyl]carbamoyl]amino]butanoic acid
CID 122023092
4-[[benzyl(cyclobutylmethyl)carbamoyl]amino]butanoic acid
CID 122021483
2-[cyclopropylmethyl-[[1-(dimethylamino)cyclopentyl]methylcarbamoyl]amino]acetic acid
CID 83113643
N-[3-(cyclopropylamino)propyl]acetamide
CID 43596501
2-[cyclopropylmethyl-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]amino]acetic acid
CID 63330568
N-[3-(cyclopropylamino)propyl]-2,2-dimethylpropanamide
CID 43596452

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopropylamino)propylcarbamoyl-(cyclopropylmethyl)amino]acetic acid?
The IUPAC name of 2-[3-(cyclopropylamino)propylcarbamoyl-(cyclopropylmethyl)amino]acetic acid (CID 61408059) is 2-[3-(cyclopropylamino)propylcarbamoyl-(cyclopropylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[3-(cyclopropylamino)propylcarbamoyl-(cyclopropylmethyl)amino]acetic acid?
The canonical SMILES for 2-[3-(cyclopropylamino)propylcarbamoyl-(cyclopropylmethyl)amino]acetic acid is O=C(O)CN(CC1CC1)C(=O)NCCCNC1CC1.
What is the InChIKey of 2-[3-(cyclopropylamino)propylcarbamoyl-(cyclopropylmethyl)amino]acetic acid?
The InChIKey is GLMGYXNXNBGSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c17-12(18)9-16(8-10-2-3-10)13(19)15-7-1-6-14-11-4-5-11/h10-11,14H,1-9H2,(H,15,19)(H,17,18).
What are the key properties of 2-[3-(cyclopropylamino)propylcarbamoyl-(cyclopropylmethyl)amino]acetic acid?
2-[3-(cyclopropylamino)propylcarbamoyl-(cyclopropylmethyl)amino]acetic acid has a molecular weight of 269.34 g/mol, XLogP of 0.63, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopropylamino)propylcarbamoyl-(cyclopropylmethyl)amino]acetic acid is sourced from PubChem (CID 61408059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).