2-[[butyl(cyclopropylmethyl)carbamoyl]amino]acetic acid

C11H20N2O3 — CID 141135639

IUPAC2-[[butyl(cyclopropylmethyl)carbamoyl]amino]acetic acid
SMILESCCCCN(CC1CC1)C(=O)NCC(=O)O
InChIInChI=1S/C11H20N2O3/c1-2-3-6-13(8-9-4-5-9)11(16)12-7-10(14)15/h9H,2-8H2,1H3,(H,12,16)(H,14,15)
InChIKeyMHNJJQWWOPJYLY-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.29
Rot. Bonds7

About 2-[[butyl(cyclopropylmethyl)carbamoyl]amino]acetic acid

2-[[butyl(cyclopropylmethyl)carbamoyl]amino]acetic acid (PubChem CID 141135639) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[[butyl(cyclopropylmethyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[butyl(cyclopropylmethyl)carbamoyl]amino]acetic acid
PubChem CID141135639
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-[[butyl(cyclopropylmethyl)carbamoyl]amino]acetic acid
SMILESCCCCN(CC1CC1)C(=O)NCC(=O)O
InChIInChI=1S/C11H20N2O3/c1-2-3-6-13(8-9-4-5-9)11(16)12-7-10(14)15/h9H,2-8H2,1H3,(H,12,16)(H,14,15)
InChIKeyMHNJJQWWOPJYLY-UHFFFAOYSA-N
XLogP1.29
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-[[cyclopropylmethyl(propyl)carbamoyl]amino]acetyl]amino]acetic acid
CID 61443365
2-[[butyl(methyl)carbamoyl]amino]acetic acid
CID 28507820
2-[[butyl(2-hydroxyethyl)carbamoyl]-(cyclopropylmethyl)amino]acetic acid
CID 61447331
3-[[[cyclopropylmethyl(propyl)carbamoyl]amino]methyl]pentanoic acid
CID 81069707
2-[[ethyl(propyl)carbamoyl]amino]acetic acid
CID 43445697
1-(cyclopropylmethyl)-1-ethyl-3-propylurea
CID 115622668
(2S)-4-[[cyclopropylmethyl(propyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107838868
2-[[cyclopropylmethyl(propyl)carbamoyl]amino]-2-methylpropanoic acid
CID 61443321
2-[[benzyl(pentyl)carbamoyl]amino]acetic acid
CID 70441420
3-[4-(dimethylamino)phenyl]-1-[[4-[[[4-(dimethylamino)phenyl]carbamoyl-pentylamino]methyl]cyclohexyl]methyl]-1-pentylurea
CID 70185239
3-[butyl(cyclopropanecarbonyl)amino]propanoic acid
CID 82323933
N-(cyclopropylmethyl)-N-propylacetamide
CID 59001159

Frequently Asked Questions

What is the IUPAC name of 2-[[butyl(cyclopropylmethyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[[butyl(cyclopropylmethyl)carbamoyl]amino]acetic acid (CID 141135639) is 2-[[butyl(cyclopropylmethyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[[butyl(cyclopropylmethyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[[butyl(cyclopropylmethyl)carbamoyl]amino]acetic acid is CCCCN(CC1CC1)C(=O)NCC(=O)O.
What is the InChIKey of 2-[[butyl(cyclopropylmethyl)carbamoyl]amino]acetic acid?
The InChIKey is MHNJJQWWOPJYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-2-3-6-13(8-9-4-5-9)11(16)12-7-10(14)15/h9H,2-8H2,1H3,(H,12,16)(H,14,15).
What are the key properties of 2-[[butyl(cyclopropylmethyl)carbamoyl]amino]acetic acid?
2-[[butyl(cyclopropylmethyl)carbamoyl]amino]acetic acid has a molecular weight of 228.29 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butyl(cyclopropylmethyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 141135639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).