2-[[2-hydroxyethyl(propyl)carbamoyl]-propylamino]acetic acid

C11H22N2O4 — CID 55134962

IUPAC2-[[2-hydroxyethyl(propyl)carbamoyl]-propylamino]acetic acid
SMILESCCCN(CCO)C(=O)N(CCC)CC(=O)O
InChIInChI=1S/C11H22N2O4/c1-3-5-12(7-8-14)11(17)13(6-4-2)9-10(15)16/h14H,3-9H2,1-2H3,(H,15,16)
InChIKeyFKDDJPHUGCTEAQ-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.61
Rot. Bonds8

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

2-[[2-hydroxyethyl(propyl)carbamoyl]-propylamino]acetic acid (PubChem CID 55134962) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[[2-hydroxyethyl(propyl)carbamoyl]-propylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-hydroxyethyl(propyl)carbamoyl]-propylamino]acetic acid
PubChem CID55134962
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name2-[[2-hydroxyethyl(propyl)carbamoyl]-propylamino]acetic acid
SMILESCCCN(CCO)C(=O)N(CCC)CC(=O)O
InChIInChI=1S/C11H22N2O4/c1-3-5-12(7-8-14)11(17)13(6-4-2)9-10(15)16/h14H,3-9H2,1-2H3,(H,15,16)
InChIKeyFKDDJPHUGCTEAQ-UHFFFAOYSA-N
XLogP0.61
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.61
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-[[2-hydroxyethyl(propyl)carbamoyl]-methylamino]acetic acid
CID 61425586
2-[ethyl-[ethyl(2-hydroxyethyl)carbamoyl]amino]acetic acid
CID 61208217
2-[cyclopropyl-[2-hydroxyethyl(propyl)carbamoyl]amino]acetic acid
CID 54984147
2-[bis(2-ethoxyethyl)carbamoyl-propylamino]acetic acid
CID 82937387
2-[bis(2-methoxy-2-oxoethyl)carbamoyl-propylamino]acetic acid
CID 62956267
2-[[ethyl(2-methylprop-2-enyl)carbamoyl]-propylamino]acetic acid
CID 61186126
2-[[butyl(2-hydroxyethyl)carbamoyl]-(cyclopropylmethyl)amino]acetic acid
CID 61447331
2-[2-[[2-[bis(2-hydroxyethyl)amino]-2-oxoethyl]-(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[2-[2-hydroxyethyl(propyl)amino]-2-oxoethyl]amino]ethyl]amino]acetic acid
CID 59126070
2-[acetyl(propyl)amino]acetic acid
CID 23279438
2-[[ethyl(propyl)carbamoyl]-(2-methoxyethyl)amino]acetic acid
CID 79272261
2-[[cyclopropylmethyl(ethyl)carbamoyl]-propylamino]acetic acid
CID 63956464

Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxyethyl(propyl)carbamoyl]-propylamino]acetic acid?
The IUPAC name of 2-[[2-hydroxyethyl(propyl)carbamoyl]-propylamino]acetic acid (CID 55134962) is 2-[[2-hydroxyethyl(propyl)carbamoyl]-propylamino]acetic acid.
What is the SMILES notation for 2-[[2-hydroxyethyl(propyl)carbamoyl]-propylamino]acetic acid?
The canonical SMILES for 2-[[2-hydroxyethyl(propyl)carbamoyl]-propylamino]acetic acid is CCCN(CCO)C(=O)N(CCC)CC(=O)O.
What is the InChIKey of 2-[[2-hydroxyethyl(propyl)carbamoyl]-propylamino]acetic acid?
The InChIKey is FKDDJPHUGCTEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-3-5-12(7-8-14)11(17)13(6-4-2)9-10(15)16/h14H,3-9H2,1-2H3,(H,15,16).
What are the key properties of 2-[[2-hydroxyethyl(propyl)carbamoyl]-propylamino]acetic acid?
2-[[2-hydroxyethyl(propyl)carbamoyl]-propylamino]acetic acid has a molecular weight of 246.31 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-[[2-hydroxyethyl(propyl)carbamoyl]-propylamino]acetic acid is sourced from PubChem (CID 55134962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).