2-[[3-[[benzyl(propyl)carbamoyl]amino]cyclobutyl]-ethylamino]acetic acid

C19H29N3O3 — CID 122027054

IUPAC2-[[3-[[benzyl(propyl)carbamoyl]amino]cyclobutyl]-ethylamino]acetic acid
SMILESCCCN(Cc1ccccc1)C(=O)NC1CC(N(CC)CC(=O)O)C1
InChIInChI=1S/C19H29N3O3/c1-3-10-22(13-15-8-6-5-7-9-15)19(25)20-16-11-17(12-16)21(4-2)14-18(23)24/h5-9,16-17H,3-4,10-14H2,1-2H3,(H,20,25)(H,23,24)
InChIKeyYLFHEMJMJWOYMF-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.55
Rot. Bonds9

About 2-[[3-[[benzyl(propyl)carbamoyl]amino]cyclobutyl]-ethylamino]acetic acid

2-[[3-[[benzyl(propyl)carbamoyl]amino]cyclobutyl]-ethylamino]acetic acid (PubChem CID 122027054) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-[[3-[[benzyl(propyl)carbamoyl]amino]cyclobutyl]-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-[[benzyl(propyl)carbamoyl]amino]cyclobutyl]-ethylamino]acetic acid
PubChem CID122027054
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name2-[[3-[[benzyl(propyl)carbamoyl]amino]cyclobutyl]-ethylamino]acetic acid
SMILESCCCN(Cc1ccccc1)C(=O)NC1CC(N(CC)CC(=O)O)C1
InChIInChI=1S/C19H29N3O3/c1-3-10-22(13-15-8-6-5-7-9-15)19(25)20-16-11-17(12-16)21(4-2)14-18(23)24/h5-9,16-17H,3-4,10-14H2,1-2H3,(H,20,25)(H,23,24)
InChIKeyYLFHEMJMJWOYMF-UHFFFAOYSA-N
XLogP2.55
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-[[benzyl(cyclopropyl)carbamoyl]amino]cyclobutyl]-ethylamino]acetic acid
CID 122025365
2-[ethyl-[3-[[methyl(4-phenylbutyl)carbamoyl]amino]cyclobutyl]amino]acetic acid
CID 122026881
2-[[3-[[2-(dimethylamino)ethyl-[(2-fluorophenyl)methyl]carbamoyl]amino]cyclobutyl]-ethylamino]acetic acid
CID 122026875
2-[[3-[bis(furan-2-ylmethyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122027039
2-[ethyl-[3-[[2-hydroxyethyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]cyclobutyl]amino]acetic acid
CID 122025983
2-[[3-[[(2R)-1-[benzyl(methyl)amino]propan-2-yl]carbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122014573
2-[[3-[[(5-chlorothiophen-2-yl)methyl-ethylcarbamoyl]amino]cyclobutyl]-ethylamino]acetic acid
CID 122027034
2-[[3-[[(3-chlorophenyl)methyl-propan-2-ylcarbamoyl]amino]cyclobutyl]-ethylamino]acetic acid
CID 122026726
2-[ethyl-[3-[[methyl-[(2-phenyltriazol-4-yl)methyl]carbamoyl]amino]cyclobutyl]amino]acetic acid
CID 122025383
2-[[3-(1,3-dihydroisoindole-2-carbonylamino)cyclobutyl]-ethylamino]acetic acid
CID 122026644
2-[[3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]cyclobutyl]-ethylamino]acetic acid
CID 122026960
2-[ethyl-[3-[[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]amino]cyclobutyl]amino]acetic acid
CID 122027004

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[[benzyl(propyl)carbamoyl]amino]cyclobutyl]-ethylamino]acetic acid?
The IUPAC name of 2-[[3-[[benzyl(propyl)carbamoyl]amino]cyclobutyl]-ethylamino]acetic acid (CID 122027054) is 2-[[3-[[benzyl(propyl)carbamoyl]amino]cyclobutyl]-ethylamino]acetic acid.
What is the SMILES notation for 2-[[3-[[benzyl(propyl)carbamoyl]amino]cyclobutyl]-ethylamino]acetic acid?
The canonical SMILES for 2-[[3-[[benzyl(propyl)carbamoyl]amino]cyclobutyl]-ethylamino]acetic acid is CCCN(Cc1ccccc1)C(=O)NC1CC(N(CC)CC(=O)O)C1.
What is the InChIKey of 2-[[3-[[benzyl(propyl)carbamoyl]amino]cyclobutyl]-ethylamino]acetic acid?
The InChIKey is YLFHEMJMJWOYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-3-10-22(13-15-8-6-5-7-9-15)19(25)20-16-11-17(12-16)21(4-2)14-18(23)24/h5-9,16-17H,3-4,10-14H2,1-2H3,(H,20,25)(H,23,24).
What are the key properties of 2-[[3-[[benzyl(propyl)carbamoyl]amino]cyclobutyl]-ethylamino]acetic acid?
2-[[3-[[benzyl(propyl)carbamoyl]amino]cyclobutyl]-ethylamino]acetic acid has a molecular weight of 347.46 g/mol, XLogP of 2.55, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[[benzyl(propyl)carbamoyl]amino]cyclobutyl]-ethylamino]acetic acid is sourced from PubChem (CID 122027054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).