2-[cyclopropyl-[2-hydroxyethyl(propyl)carbamoyl]amino]acetic acid

C11H20N2O4 — CID 54984147

IUPAC2-[cyclopropyl-[2-hydroxyethyl(propyl)carbamoyl]amino]acetic acid
SMILESCCCN(CCO)C(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C11H20N2O4/c1-2-5-12(6-7-14)11(17)13(8-10(15)16)9-3-4-9/h9,14H,2-8H2,1H3,(H,15,16)
InChIKeyZVJYOHWLYHNOLP-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.36
Rot. Bonds7

About 2-[cyclopropyl-[2-hydroxyethyl(propyl)carbamoyl]amino]acetic acid

2-[cyclopropyl-[2-hydroxyethyl(propyl)carbamoyl]amino]acetic acid (PubChem CID 54984147) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-[cyclopropyl-[2-hydroxyethyl(propyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[2-hydroxyethyl(propyl)carbamoyl]amino]acetic acid
PubChem CID54984147
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name2-[cyclopropyl-[2-hydroxyethyl(propyl)carbamoyl]amino]acetic acid
SMILESCCCN(CCO)C(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C11H20N2O4/c1-2-5-12(6-7-14)11(17)13(8-10(15)16)9-3-4-9/h9,14H,2-8H2,1H3,(H,15,16)
InChIKeyZVJYOHWLYHNOLP-UHFFFAOYSA-N
XLogP0.36
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-hydroxyethyl(propyl)carbamoyl]-methylamino]acetic acid
CID 61425586
2-[cyclopropylmethyl-[2-hydroxyethyl(propyl)carbamoyl]amino]acetic acid
CID 61425635
2-[[2-hydroxyethyl(propyl)carbamoyl]-propylamino]acetic acid
CID 55134962
2-[[butyl(ethyl)carbamoyl]-cyclopropylamino]acetic acid
CID 54978335
3-[[butyl(2-hydroxyethyl)carbamoyl]-cyclopropylamino]propanoic acid
CID 61447426
2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]-propylamino]acetic acid
CID 64520197
2-[cyclopentyl-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]acetic acid
CID 107481751
2-[[cyclopropyl(propyl)carbamoyl]-prop-2-enylamino]acetic acid
CID 79276905
2-[[butyl(2-hydroxyethyl)carbamoyl]-(cyclopropylmethyl)amino]acetic acid
CID 61447331
2-[[cyclopropyl(propyl)carbamoyl]-prop-2-ynylamino]acetic acid
CID 79283860
2-[tert-butyl-[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]acetic acid
CID 79256922
N-(2-hydroxyethyl)-N-propylcyclopropanecarboxamide
CID 60670831

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[2-hydroxyethyl(propyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[2-hydroxyethyl(propyl)carbamoyl]amino]acetic acid (CID 54984147) is 2-[cyclopropyl-[2-hydroxyethyl(propyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[2-hydroxyethyl(propyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[2-hydroxyethyl(propyl)carbamoyl]amino]acetic acid is CCCN(CCO)C(=O)N(CC(=O)O)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[2-hydroxyethyl(propyl)carbamoyl]amino]acetic acid?
The InChIKey is ZVJYOHWLYHNOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-2-5-12(6-7-14)11(17)13(8-10(15)16)9-3-4-9/h9,14H,2-8H2,1H3,(H,15,16).
What are the key properties of 2-[cyclopropyl-[2-hydroxyethyl(propyl)carbamoyl]amino]acetic acid?
2-[cyclopropyl-[2-hydroxyethyl(propyl)carbamoyl]amino]acetic acid has a molecular weight of 244.29 g/mol, XLogP of 0.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[2-hydroxyethyl(propyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 54984147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).