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

C13H24N2O4 — CID 61447331

IUPAC2-[[butyl(2-hydroxyethyl)carbamoyl]-(cyclopropylmethyl)amino]acetic acid
SMILESCCCCN(CCO)C(=O)N(CC(=O)O)CC1CC1
InChIInChI=1S/C13H24N2O4/c1-2-3-6-14(7-8-16)13(19)15(10-12(17)18)9-11-4-5-11/h11,16H,2-10H2,1H3,(H,17,18)
InChIKeyLEZUNIVIBYYIKF-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.00
Rot. Bonds9

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

2-[[butyl(2-hydroxyethyl)carbamoyl]-(cyclopropylmethyl)amino]acetic acid (PubChem CID 61447331) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-[[butyl(2-hydroxyethyl)carbamoyl]-(cyclopropylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[butyl(2-hydroxyethyl)carbamoyl]-(cyclopropylmethyl)amino]acetic acid
PubChem CID61447331
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name2-[[butyl(2-hydroxyethyl)carbamoyl]-(cyclopropylmethyl)amino]acetic acid
SMILESCCCCN(CCO)C(=O)N(CC(=O)O)CC1CC1
InChIInChI=1S/C13H24N2O4/c1-2-3-6-14(7-8-16)13(19)15(10-12(17)18)9-11-4-5-11/h11,16H,2-10H2,1H3,(H,17,18)
InChIKeyLEZUNIVIBYYIKF-UHFFFAOYSA-N
XLogP1.00
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropylmethyl-[2-hydroxyethyl(propyl)carbamoyl]amino]acetic acid
CID 61425635
2-[[cyclopropylmethyl(ethyl)carbamoyl]-propylamino]acetic acid
CID 63956464
2-[[2-hydroxyethyl(propyl)carbamoyl]-propylamino]acetic acid
CID 55134962
3-[[butyl(2-hydroxyethyl)carbamoyl]-cyclopropylamino]propanoic acid
CID 61447426
2-[[butyl(ethyl)carbamoyl]-(carboxymethyl)amino]acetic acid
CID 55247073
3-[[butyl(2-hydroxyethyl)carbamoyl]-ethylamino]propanoic acid
CID 61447698
2-[[butyl(cyclopropylmethyl)carbamoyl]amino]acetic acid
CID 141135639
2-[(2-amino-2-oxoethyl)-(dibutylcarbamoyl)amino]acetic acid
CID 107437530
2-[cyclopropyl-[2-hydroxyethyl(propyl)carbamoyl]amino]acetic acid
CID 54984147
2-[ethyl-[ethyl(2-hydroxyethyl)carbamoyl]amino]acetic acid
CID 61208217
2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]-propylamino]acetic acid
CID 64520197
2-[cyclopropylmethyl-[ethyl(propan-2-yl)carbamoyl]amino]acetic acid
CID 43656094

Frequently Asked Questions

What is the IUPAC name of 2-[[butyl(2-hydroxyethyl)carbamoyl]-(cyclopropylmethyl)amino]acetic acid?
The IUPAC name of 2-[[butyl(2-hydroxyethyl)carbamoyl]-(cyclopropylmethyl)amino]acetic acid (CID 61447331) is 2-[[butyl(2-hydroxyethyl)carbamoyl]-(cyclopropylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[[butyl(2-hydroxyethyl)carbamoyl]-(cyclopropylmethyl)amino]acetic acid?
The canonical SMILES for 2-[[butyl(2-hydroxyethyl)carbamoyl]-(cyclopropylmethyl)amino]acetic acid is CCCCN(CCO)C(=O)N(CC(=O)O)CC1CC1.
What is the InChIKey of 2-[[butyl(2-hydroxyethyl)carbamoyl]-(cyclopropylmethyl)amino]acetic acid?
The InChIKey is LEZUNIVIBYYIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-2-3-6-14(7-8-16)13(19)15(10-12(17)18)9-11-4-5-11/h11,16H,2-10H2,1H3,(H,17,18).
What are the key properties of 2-[[butyl(2-hydroxyethyl)carbamoyl]-(cyclopropylmethyl)amino]acetic acid?
2-[[butyl(2-hydroxyethyl)carbamoyl]-(cyclopropylmethyl)amino]acetic acid has a molecular weight of 272.34 g/mol, XLogP of 1.00, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butyl(2-hydroxyethyl)carbamoyl]-(cyclopropylmethyl)amino]acetic acid is sourced from PubChem (CID 61447331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).