2-[(1-amino-1-oxopropan-2-yl)-propylamino]acetic acid

C8H16N2O3 — CID 61008085

IUPAC2-[(1-amino-1-oxopropan-2-yl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(C)C(N)=O
InChIInChI=1S/C8H16N2O3/c1-3-4-10(5-7(11)12)6(2)8(9)13/h6H,3-5H2,1-2H3,(H2,9,13)(H,11,12)
InChIKeyAOEQFZNXBIDDLR-UHFFFAOYSA-N
MW188.23 g/mol
LogP-0.34
Rot. Bonds6

About 2-[(1-amino-1-oxopropan-2-yl)-propylamino]acetic acid

2-[(1-amino-1-oxopropan-2-yl)-propylamino]acetic acid (PubChem CID 61008085) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-[(1-amino-1-oxopropan-2-yl)-propylamino]acetic acid.

Molecular Properties

Compound Name2-[(1-amino-1-oxopropan-2-yl)-propylamino]acetic acid
PubChem CID61008085
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name2-[(1-amino-1-oxopropan-2-yl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(C)C(N)=O
InChIInChI=1S/C8H16N2O3/c1-3-4-10(5-7(11)12)6(2)8(9)13/h6H,3-5H2,1-2H3,(H2,9,13)(H,11,12)
InChIKeyAOEQFZNXBIDDLR-UHFFFAOYSA-N
XLogP-0.34
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dipropylamino)propanamide
CID 18474126
2-[(1-amino-1-oxopropan-2-yl)-prop-2-enylamino]acetic acid
CID 79276754
2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]propanoic acid
CID 122536186
2-[(3-amino-3-oxopropyl)-butan-2-ylamino]acetic acid
CID 60833263
2-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]-propylamino]acetic acid
CID 54899159
2-[(1-amino-1-oxopropan-2-yl)-butan-2-ylamino]acetic acid
CID 60833253
2-[(4-aminophenyl)methyl-propylamino]propanamide
CID 43459613
2-[heptan-3-yl(propyl)amino]acetic acid
CID 65064698
2-[2-[2-[1-carboxyethyl(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]propanoic acid
CID 19033802
2-[3-methylbutyl(propyl)amino]acetic acid
CID 61008977
2-[2-carboxyethyl(propyl)amino]propanoic acid
CID 82328060
2-[(2-aminophenyl)methyl-propylamino]propanamide
CID 43459967

Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-1-oxopropan-2-yl)-propylamino]acetic acid?
The IUPAC name of 2-[(1-amino-1-oxopropan-2-yl)-propylamino]acetic acid (CID 61008085) is 2-[(1-amino-1-oxopropan-2-yl)-propylamino]acetic acid.
What is the SMILES notation for 2-[(1-amino-1-oxopropan-2-yl)-propylamino]acetic acid?
The canonical SMILES for 2-[(1-amino-1-oxopropan-2-yl)-propylamino]acetic acid is CCCN(CC(=O)O)C(C)C(N)=O.
What is the InChIKey of 2-[(1-amino-1-oxopropan-2-yl)-propylamino]acetic acid?
The InChIKey is AOEQFZNXBIDDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-3-4-10(5-7(11)12)6(2)8(9)13/h6H,3-5H2,1-2H3,(H2,9,13)(H,11,12).
What are the key properties of 2-[(1-amino-1-oxopropan-2-yl)-propylamino]acetic acid?
2-[(1-amino-1-oxopropan-2-yl)-propylamino]acetic acid has a molecular weight of 188.23 g/mol, XLogP of -0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-1-oxopropan-2-yl)-propylamino]acetic acid is sourced from PubChem (CID 61008085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).