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

C12H22N2O4 — CID 61425635

IUPAC2-[cyclopropylmethyl-[2-hydroxyethyl(propyl)carbamoyl]amino]acetic acid
SMILESCCCN(CCO)C(=O)N(CC(=O)O)CC1CC1
InChIInChI=1S/C12H22N2O4/c1-2-5-13(6-7-15)12(18)14(9-11(16)17)8-10-3-4-10/h10,15H,2-9H2,1H3,(H,16,17)
InChIKeyQBKOGDCUJNYNHI-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.61
Rot. Bonds8

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

2-[cyclopropylmethyl-[2-hydroxyethyl(propyl)carbamoyl]amino]acetic acid (PubChem CID 61425635) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[2-hydroxyethyl(propyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[2-hydroxyethyl(propyl)carbamoyl]amino]acetic acid
PubChem CID61425635
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name2-[cyclopropylmethyl-[2-hydroxyethyl(propyl)carbamoyl]amino]acetic acid
SMILESCCCN(CCO)C(=O)N(CC(=O)O)CC1CC1
InChIInChI=1S/C12H22N2O4/c1-2-5-13(6-7-15)12(18)14(9-11(16)17)8-10-3-4-10/h10,15H,2-9H2,1H3,(H,16,17)
InChIKeyQBKOGDCUJNYNHI-UHFFFAOYSA-N
XLogP0.61
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[butyl(2-hydroxyethyl)carbamoyl]-(cyclopropylmethyl)amino]acetic acid
CID 61447331
2-[[cyclopropylmethyl(ethyl)carbamoyl]-propylamino]acetic acid
CID 63956464
2-[[2-hydroxyethyl(propyl)carbamoyl]-propylamino]acetic acid
CID 55134962
2-[cyclopropyl-[2-hydroxyethyl(propyl)carbamoyl]amino]acetic acid
CID 54984147
2-[[2-hydroxyethyl(propyl)carbamoyl]-methylamino]acetic acid
CID 61425586
2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]-propylamino]acetic acid
CID 64520197
2-[ethyl-[ethyl(2-hydroxyethyl)carbamoyl]amino]acetic acid
CID 61208217
N-(cyclopropylmethyl)-N-propylacetamide
CID 59001159
2-[cyclopropylmethyl-[ethyl(propan-2-yl)carbamoyl]amino]acetic acid
CID 43656094
2-[cyclopropylmethyl-[methyl(2-methylbutan-2-yl)carbamoyl]amino]acetic acid
CID 63960082
2-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]-propylamino]acetic acid
CID 63235476
2-[[cyclopropylmethyl(ethyl)carbamoyl]-prop-2-ynylamino]acetic acid
CID 79284715

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[2-hydroxyethyl(propyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[2-hydroxyethyl(propyl)carbamoyl]amino]acetic acid (CID 61425635) is 2-[cyclopropylmethyl-[2-hydroxyethyl(propyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[2-hydroxyethyl(propyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[2-hydroxyethyl(propyl)carbamoyl]amino]acetic acid is CCCN(CCO)C(=O)N(CC(=O)O)CC1CC1.
What is the InChIKey of 2-[cyclopropylmethyl-[2-hydroxyethyl(propyl)carbamoyl]amino]acetic acid?
The InChIKey is QBKOGDCUJNYNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-2-5-13(6-7-15)12(18)14(9-11(16)17)8-10-3-4-10/h10,15H,2-9H2,1H3,(H,16,17).
What are the key properties of 2-[cyclopropylmethyl-[2-hydroxyethyl(propyl)carbamoyl]amino]acetic acid?
2-[cyclopropylmethyl-[2-hydroxyethyl(propyl)carbamoyl]amino]acetic acid has a molecular weight of 258.32 g/mol, XLogP of 0.61, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[2-hydroxyethyl(propyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 61425635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).