(2-aminopropanoylamino) propanoate

C6H12N2O3 — CID 146291069

IUPAC(2-aminopropanoylamino) propanoate
SMILESCCC(=O)ONC(=O)C(C)N
InChIInChI=1S/C6H12N2O3/c1-3-5(9)11-8-6(10)4(2)7/h4H,3,7H2,1-2H3,(H,8,10)
InChIKeyLVGCPBZZFFAJGC-UHFFFAOYSA-N
MW160.17 g/mol
LogP-0.68
Rot. Bonds2

About (2-aminopropanoylamino) propanoate

(2-aminopropanoylamino) propanoate (PubChem CID 146291069) has the molecular formula C6H12N2O3 and a molecular weight of 160.17 g/mol. Its IUPAC name is (2-aminopropanoylamino) propanoate.

Molecular Properties

Compound Name(2-aminopropanoylamino) propanoate
PubChem CID146291069
Molecular FormulaC6H12N2O3
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Name(2-aminopropanoylamino) propanoate
SMILESCCC(=O)ONC(=O)C(C)N
InChIInChI=1S/C6H12N2O3/c1-3-5(9)11-8-6(10)4(2)7/h4H,3,7H2,1-2H3,(H,8,10)
InChIKeyLVGCPBZZFFAJGC-UHFFFAOYSA-N
XLogP-0.68
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[[(2S)-2-hydroxypropanoyl]amino] propanoate
CID 176961692
[[(2S)-2-amino-3-(dimethylamino)propanoyl]amino] propanoate
CID 174817609
(prop-1-en-2-ylamino) propanoate
CID 57193180
2-amino-N'-propanoylpropanehydrazide
CID 82111229
2-amino-N-(2-methylpropoxy)propanamide
CID 82721936
2-amino-N-(2-methoxyethyl)propanamide
CID 24703832
(2S)-2-amino-N-[2-[2-[2-[[(2S)-2-aminopropanoyl]amino]ethoxy]ethoxy]ethyl]propanamide
CID 15459454
2-amino-N-(1,3-dihydroxypropan-2-yloxy)propanamide
CID 163415035
(2S)-2-amino-N-[2-[[(2S)-2-aminopropanoyl]amino]ethyl]propanamide;dihydrochloride
CID 18651575
disodium;hydride;(propanoyloxyamino) propanoate
CID 175458235
2-[[(2S)-2-aminopropanoyl]amino]ethyl carbamate
CID 83211892
2-(2-aminopropanoylamino)ethyl carbamate
CID 83209218

Frequently Asked Questions

What is the IUPAC name of (2-aminopropanoylamino) propanoate?
The IUPAC name of (2-aminopropanoylamino) propanoate (CID 146291069) is (2-aminopropanoylamino) propanoate.
What is the SMILES notation for (2-aminopropanoylamino) propanoate?
The canonical SMILES for (2-aminopropanoylamino) propanoate is CCC(=O)ONC(=O)C(C)N.
What is the InChIKey of (2-aminopropanoylamino) propanoate?
The InChIKey is LVGCPBZZFFAJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O3/c1-3-5(9)11-8-6(10)4(2)7/h4H,3,7H2,1-2H3,(H,8,10).
What are the key properties of (2-aminopropanoylamino) propanoate?
(2-aminopropanoylamino) propanoate has a molecular weight of 160.17 g/mol, XLogP of -0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminopropanoylamino) propanoate is sourced from PubChem (CID 146291069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).