2-[1-[[3-(cyclopropylamino)propylcarbamoylamino]methyl]cyclobutyl]acetic acid

C14H25N3O3 — CID 81163436

IUPAC2-[1-[[3-(cyclopropylamino)propylcarbamoylamino]methyl]cyclobutyl]acetic acid
SMILESO=C(O)CC1(CNC(=O)NCCCNC2CC2)CCC1
InChIInChI=1S/C14H25N3O3/c18-12(19)9-14(5-1-6-14)10-17-13(20)16-8-2-7-15-11-3-4-11/h11,15H,1-10H2,(H,18,19)(H2,16,17,20)
InChIKeyVNHYWFGIECYZBI-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.07
Rot. Bonds9

About 2-[1-[[3-(cyclopropylamino)propylcarbamoylamino]methyl]cyclobutyl]acetic acid

2-[1-[[3-(cyclopropylamino)propylcarbamoylamino]methyl]cyclobutyl]acetic acid (PubChem CID 81163436) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[1-[[3-(cyclopropylamino)propylcarbamoylamino]methyl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[3-(cyclopropylamino)propylcarbamoylamino]methyl]cyclobutyl]acetic acid
PubChem CID81163436
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name2-[1-[[3-(cyclopropylamino)propylcarbamoylamino]methyl]cyclobutyl]acetic acid
SMILESO=C(O)CC1(CNC(=O)NCCCNC2CC2)CCC1
InChIInChI=1S/C14H25N3O3/c18-12(19)9-14(5-1-6-14)10-17-13(20)16-8-2-7-15-11-3-4-11/h11,15H,1-10H2,(H,18,19)(H2,16,17,20)
InChIKeyVNHYWFGIECYZBI-UHFFFAOYSA-N
XLogP1.07
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.07
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

1-[[3-(cyclopropylamino)propylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115434091
2-[1-[(butylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 81164737
2-[1-[[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]methyl]cyclobutyl]acetic acid
CID 81162871
2-[1-[(cyclohexylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 81164862
2-[1-[(3-methylsulfanylpropylcarbamoylamino)methyl]cyclohexyl]acetic acid
CID 63959204
2-[1-[(2,2-dicyclopropylethylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 81156613
2-[1-[[(1-methylcyclopentyl)methylcarbamoylamino]methyl]cyclobutyl]acetic acid
CID 81162365
2-[1-[(3-methylsulfanylbutylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 113494169
2-[1-[[(1-methylpiperidin-4-yl)methylcarbamoylamino]methyl]cyclobutyl]acetic acid
CID 81155945
2-[1-[(thian-2-ylmethylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 81166798
2-[1-[(cycloheptanecarbonylamino)methyl]cyclobutyl]acetic acid
CID 81164488
2-[1-[(cyclohexanecarbonylamino)methyl]cyclobutyl]acetic acid
CID 81164623

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[3-(cyclopropylamino)propylcarbamoylamino]methyl]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[3-(cyclopropylamino)propylcarbamoylamino]methyl]cyclobutyl]acetic acid (CID 81163436) is 2-[1-[[3-(cyclopropylamino)propylcarbamoylamino]methyl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[3-(cyclopropylamino)propylcarbamoylamino]methyl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[3-(cyclopropylamino)propylcarbamoylamino]methyl]cyclobutyl]acetic acid is O=C(O)CC1(CNC(=O)NCCCNC2CC2)CCC1.
What is the InChIKey of 2-[1-[[3-(cyclopropylamino)propylcarbamoylamino]methyl]cyclobutyl]acetic acid?
The InChIKey is VNHYWFGIECYZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c18-12(19)9-14(5-1-6-14)10-17-13(20)16-8-2-7-15-11-3-4-11/h11,15H,1-10H2,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[1-[[3-(cyclopropylamino)propylcarbamoylamino]methyl]cyclobutyl]acetic acid?
2-[1-[[3-(cyclopropylamino)propylcarbamoylamino]methyl]cyclobutyl]acetic acid has a molecular weight of 283.37 g/mol, XLogP of 1.07, 9 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[3-(cyclopropylamino)propylcarbamoylamino]methyl]cyclobutyl]acetic acid is sourced from PubChem (CID 81163436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).