2-[[butyl(ethyl)carbamoyl]-cyclopropylamino]acetic acid

C12H22N2O3 — CID 54978335

IUPAC2-[[butyl(ethyl)carbamoyl]-cyclopropylamino]acetic acid
SMILESCCCCN(CC)C(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C12H22N2O3/c1-3-5-8-13(4-2)12(17)14(9-11(15)16)10-6-7-10/h10H,3-9H2,1-2H3,(H,15,16)
InChIKeyUUMGMDCPDYBLNJ-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.78
Rot. Bonds7

About 2-[[butyl(ethyl)carbamoyl]-cyclopropylamino]acetic acid

2-[[butyl(ethyl)carbamoyl]-cyclopropylamino]acetic acid (PubChem CID 54978335) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[[butyl(ethyl)carbamoyl]-cyclopropylamino]acetic acid.

Molecular Properties

Compound Name2-[[butyl(ethyl)carbamoyl]-cyclopropylamino]acetic acid
PubChem CID54978335
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[[butyl(ethyl)carbamoyl]-cyclopropylamino]acetic acid
SMILESCCCCN(CC)C(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C12H22N2O3/c1-3-5-8-13(4-2)12(17)14(9-11(15)16)10-6-7-10/h10H,3-9H2,1-2H3,(H,15,16)
InChIKeyUUMGMDCPDYBLNJ-UHFFFAOYSA-N
XLogP1.78
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[butyl(ethyl)carbamoyl]-cyclopropylamino]propanoic acid
CID 61185694
2-[[butyl(ethyl)carbamoyl]-(carboxymethyl)amino]acetic acid
CID 55247073
2-[cyclopropyl-[2-hydroxyethyl(propyl)carbamoyl]amino]acetic acid
CID 54984147
3-[[butyl(2-hydroxyethyl)carbamoyl]-cyclopropylamino]propanoic acid
CID 61447426
2-[[benzyl(ethyl)carbamoyl]-cyclopropylamino]acetic acid
CID 61186434
3-[cyclopropyl(diethylcarbamoyl)amino]propanoic acid
CID 61186595
2-[ethyl-[piperidin-4-yl(propyl)carbamoyl]amino]acetic acid
CID 61408551
2-[cyclopropyl-[ethyl(propan-2-yl)carbamoyl]amino]acetic acid
CID 61195638
2-[cyclopropyl(nonanoyl)amino]acetic acid
CID 54945844
2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]-propylamino]acetic acid
CID 64520197
2-[[butyl(methyl)carbamoyl]-(1,1-dioxothiolan-3-yl)amino]acetic acid
CID 61184804
2-[2-butylsulfanylpropanoyl(cyclopropyl)amino]acetic acid
CID 119194852

Frequently Asked Questions

What is the IUPAC name of 2-[[butyl(ethyl)carbamoyl]-cyclopropylamino]acetic acid?
The IUPAC name of 2-[[butyl(ethyl)carbamoyl]-cyclopropylamino]acetic acid (CID 54978335) is 2-[[butyl(ethyl)carbamoyl]-cyclopropylamino]acetic acid.
What is the SMILES notation for 2-[[butyl(ethyl)carbamoyl]-cyclopropylamino]acetic acid?
The canonical SMILES for 2-[[butyl(ethyl)carbamoyl]-cyclopropylamino]acetic acid is CCCCN(CC)C(=O)N(CC(=O)O)C1CC1.
What is the InChIKey of 2-[[butyl(ethyl)carbamoyl]-cyclopropylamino]acetic acid?
The InChIKey is UUMGMDCPDYBLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-3-5-8-13(4-2)12(17)14(9-11(15)16)10-6-7-10/h10H,3-9H2,1-2H3,(H,15,16).
What are the key properties of 2-[[butyl(ethyl)carbamoyl]-cyclopropylamino]acetic acid?
2-[[butyl(ethyl)carbamoyl]-cyclopropylamino]acetic acid has a molecular weight of 242.32 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butyl(ethyl)carbamoyl]-cyclopropylamino]acetic acid is sourced from PubChem (CID 54978335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).