2-[acetyl(propyl)amino]acetic acid

C7H13NO3 — CID 23279438

IUPAC2-[acetyl(propyl)amino]acetic acid
SMILESCCCN(CC(=O)O)C(C)=O
InChIInChI=1S/C7H13NO3/c1-3-4-8(6(2)9)5-7(10)11/h3-5H2,1-2H3,(H,10,11)
InChIKeyMNXPIZQPEBCFCF-UHFFFAOYSA-N
MW159.19 g/mol
LogP0.33
Rot. Bonds4

About 2-[acetyl(propyl)amino]acetic acid

2-[acetyl(propyl)amino]acetic acid (PubChem CID 23279438) has the molecular formula C7H13NO3 and a molecular weight of 159.19 g/mol. Its IUPAC name is 2-[acetyl(propyl)amino]acetic acid.

Molecular Properties

Compound Name2-[acetyl(propyl)amino]acetic acid
PubChem CID23279438
Molecular FormulaC7H13NO3
Molecular Weight159.19 g/mol
Exact Mass159.09
IUPAC Name2-[acetyl(propyl)amino]acetic acid
SMILESCCCN(CC(=O)O)C(C)=O
InChIInChI=1S/C7H13NO3/c1-3-4-8(6(2)9)5-7(10)11/h3-5H2,1-2H3,(H,10,11)
InChIKeyMNXPIZQPEBCFCF-UHFFFAOYSA-N
XLogP0.33
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-oxopropyl)-N-propylacetamide
CID 88778030
2-[2-methylprop-2-enoyl(propyl)amino]acetic acid
CID 150716487
N-(3-bromo-2-oxopropyl)-N-propylacetamide
CID 104701106
2-[[ethyl(2-methylprop-2-enyl)carbamoyl]-propylamino]acetic acid
CID 61186126
2-[[(E)-2-methylpent-2-enoyl]-propylamino]acetic acid
CID 61012071
2-[[2-hydroxyethyl(propyl)carbamoyl]-propylamino]acetic acid
CID 55134962
2-[propyl(prop-2-ynoyl)amino]acetic acid
CID 61012212
2-[[4-(dipropylamino)-4-oxobutanoyl]-ethylamino]acetic acid
CID 119206224
2-[2-[acetyl(carboxymethyl)amino]ethyl-(2-oxopropyl)amino]acetic acid
CID 91150054
N-ethyl-N-propylacetamide;methane;propane
CID 161155898
2-[2-acetamidoethylcarbamoyl(propyl)amino]acetic acid
CID 61201140
2-[bis[2-(dipropylamino)-2-oxoethyl]amino]acetic acid
CID 138501380

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(propyl)amino]acetic acid?
The IUPAC name of 2-[acetyl(propyl)amino]acetic acid (CID 23279438) is 2-[acetyl(propyl)amino]acetic acid.
What is the SMILES notation for 2-[acetyl(propyl)amino]acetic acid?
The canonical SMILES for 2-[acetyl(propyl)amino]acetic acid is CCCN(CC(=O)O)C(C)=O.
What is the InChIKey of 2-[acetyl(propyl)amino]acetic acid?
The InChIKey is MNXPIZQPEBCFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-3-4-8(6(2)9)5-7(10)11/h3-5H2,1-2H3,(H,10,11).
What are the key properties of 2-[acetyl(propyl)amino]acetic acid?
2-[acetyl(propyl)amino]acetic acid has a molecular weight of 159.19 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(propyl)amino]acetic acid is sourced from PubChem (CID 23279438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).