2-[cyclopropyl-[ethyl(propan-2-yl)carbamoyl]amino]acetic acid

C11H20N2O3 — CID 61195638

IUPAC2-[cyclopropyl-[ethyl(propan-2-yl)carbamoyl]amino]acetic acid
SMILESCCN(C(=O)N(CC(=O)O)C1CC1)C(C)C
InChIInChI=1S/C11H20N2O3/c1-4-12(8(2)3)11(16)13(7-10(14)15)9-5-6-9/h8-9H,4-7H2,1-3H3,(H,14,15)
InChIKeyQTLUVZOOCMLJAN-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.39
Rot. Bonds5

About 2-[cyclopropyl-[ethyl(propan-2-yl)carbamoyl]amino]acetic acid

2-[cyclopropyl-[ethyl(propan-2-yl)carbamoyl]amino]acetic acid (PubChem CID 61195638) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[cyclopropyl-[ethyl(propan-2-yl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[ethyl(propan-2-yl)carbamoyl]amino]acetic acid
PubChem CID61195638
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-[cyclopropyl-[ethyl(propan-2-yl)carbamoyl]amino]acetic acid
SMILESCCN(C(=O)N(CC(=O)O)C1CC1)C(C)C
InChIInChI=1S/C11H20N2O3/c1-4-12(8(2)3)11(16)13(7-10(14)15)9-5-6-9/h8-9H,4-7H2,1-3H3,(H,14,15)
InChIKeyQTLUVZOOCMLJAN-UHFFFAOYSA-N
XLogP1.39
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopropylmethyl-[ethyl(propan-2-yl)carbamoyl]amino]acetic acid
CID 43656094
2-[cyclopropyl-[methyl(3-methylbutyl)carbamoyl]amino]acetic acid
CID 54984189
2-[[butyl(ethyl)carbamoyl]-cyclopropylamino]acetic acid
CID 54978335
2-[butan-2-yl-[cyclopropyl(2-methoxyethyl)carbamoyl]amino]acetic acid
CID 61452739
2-[2-butylsulfanylpropanoyl(cyclopropyl)amino]acetic acid
CID 119194852
2-[[cyclopentyl(methyl)carbamoyl]-propan-2-ylamino]acetic acid
CID 55137125
4-[[cyclopropyl(2-hydroxyethyl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 54995027
2-[cyclopropyl-[2-hydroxyethyl(propyl)carbamoyl]amino]acetic acid
CID 54984147
2-[cyclopentyl-[methyl(3-methylbutan-2-yl)carbamoyl]amino]acetic acid
CID 61202141
2-[[benzyl(ethyl)carbamoyl]-cyclopropylamino]acetic acid
CID 61186434
3-[[cyclopropyl(2-methoxyethyl)carbamoyl]-propan-2-ylamino]propanoic acid
CID 61452623
4-[[ethyl(propan-2-yl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 61195639

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[ethyl(propan-2-yl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[ethyl(propan-2-yl)carbamoyl]amino]acetic acid (CID 61195638) is 2-[cyclopropyl-[ethyl(propan-2-yl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[ethyl(propan-2-yl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[ethyl(propan-2-yl)carbamoyl]amino]acetic acid is CCN(C(=O)N(CC(=O)O)C1CC1)C(C)C.
What is the InChIKey of 2-[cyclopropyl-[ethyl(propan-2-yl)carbamoyl]amino]acetic acid?
The InChIKey is QTLUVZOOCMLJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-4-12(8(2)3)11(16)13(7-10(14)15)9-5-6-9/h8-9H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 2-[cyclopropyl-[ethyl(propan-2-yl)carbamoyl]amino]acetic acid?
2-[cyclopropyl-[ethyl(propan-2-yl)carbamoyl]amino]acetic acid has a molecular weight of 228.29 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[ethyl(propan-2-yl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 61195638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).