2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]-propylamino]acetic acid

C13H22N2O3 — CID 64520197

IUPAC2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)N(CC1CC1)C1CC1
InChIInChI=1S/C13H22N2O3/c1-2-7-14(9-12(16)17)13(18)15(11-5-6-11)8-10-3-4-10/h10-11H,2-9H2,1H3,(H,16,17)
InChIKeyGOSAYPIWRZMYFZ-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.78
Rot. Bonds7

About 2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]-propylamino]acetic acid

2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]-propylamino]acetic acid (PubChem CID 64520197) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]-propylamino]acetic acid.

Molecular Properties

Compound Name2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]-propylamino]acetic acid
PubChem CID64520197
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)N(CC1CC1)C1CC1
InChIInChI=1S/C13H22N2O3/c1-2-7-14(9-12(16)17)13(18)15(11-5-6-11)8-10-3-4-10/h10-11H,2-9H2,1H3,(H,16,17)
InChIKeyGOSAYPIWRZMYFZ-UHFFFAOYSA-N
XLogP1.78
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[cyclopropylmethyl(ethyl)carbamoyl]-propylamino]acetic acid
CID 63956464
2-[cyclopropylmethyl-[2-hydroxyethyl(propyl)carbamoyl]amino]acetic acid
CID 61425635
2-[cyclopropyl-[2-hydroxyethyl(propyl)carbamoyl]amino]acetic acid
CID 54984147
2-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]-propylamino]acetic acid
CID 63235476
2-[[cyclopropyl(propyl)carbamoyl]-prop-2-enylamino]acetic acid
CID 79276905
2-[[cyclopropyl(propyl)carbamoyl]-prop-2-ynylamino]acetic acid
CID 79283860
2-[[butyl(ethyl)carbamoyl]-cyclopropylamino]acetic acid
CID 54978335
2-[[methyl(oxan-4-yl)carbamoyl]-propylamino]acetic acid
CID 61203323
2-[[butyl(2-hydroxyethyl)carbamoyl]-(cyclopropylmethyl)amino]acetic acid
CID 61447331
2-[ethyl-[piperidin-4-yl(propyl)carbamoyl]amino]acetic acid
CID 61408551
3-[tert-butyl-[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]propanoic acid
CID 64522773
N-(cyclopropylmethyl)-N-propylacetamide
CID 59001159

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]-propylamino]acetic acid?
The IUPAC name of 2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]-propylamino]acetic acid (CID 64520197) is 2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]-propylamino]acetic acid.
What is the SMILES notation for 2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]-propylamino]acetic acid?
The canonical SMILES for 2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)N(CC1CC1)C1CC1.
What is the InChIKey of 2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]-propylamino]acetic acid?
The InChIKey is GOSAYPIWRZMYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-2-7-14(9-12(16)17)13(18)15(11-5-6-11)8-10-3-4-10/h10-11H,2-9H2,1H3,(H,16,17).
What are the key properties of 2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]-propylamino]acetic acid?
2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]-propylamino]acetic acid has a molecular weight of 254.33 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-[[cyclopropyl(cyclopropylmethyl)carbamoyl]-propylamino]acetic acid is sourced from PubChem (CID 64520197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).