prop-2-enyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoate

C9H16N2O3 — CID 14259768

IUPACprop-2-enyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoate
SMILESC=CCOC(=O)[C@H](C)NC(=O)[C@H](C)N
InChIInChI=1S/C9H16N2O3/c1-4-5-14-9(13)7(3)11-8(12)6(2)10/h4,6-7H,1,5,10H2,2-3H3,(H,11,12)/t6-,7-/m0/s1
InChIKeyOUQODMZCPBGZDY-BQBZGAKWSA-N
MW200.24 g/mol
LogP-0.43
Rot. Bonds5

About prop-2-enyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoate

prop-2-enyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoate (PubChem CID 14259768) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is prop-2-enyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoate.

Molecular Properties

Compound Nameprop-2-enyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoate
PubChem CID14259768
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Nameprop-2-enyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoate
SMILESC=CCOC(=O)[C@H](C)NC(=O)[C@H](C)N
InChIInChI=1S/C9H16N2O3/c1-4-5-14-9(13)7(3)11-8(12)6(2)10/h4,6-7H,1,5,10H2,2-3H3,(H,11,12)/t6-,7-/m0/s1
InChIKeyOUQODMZCPBGZDY-BQBZGAKWSA-N
XLogP-0.43
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze prop-2-enyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl (2S)-2-[(2S)-2-aminopropanamido]propanoate
CID 14331237
Glycylglycine allyl ester
CID 87433977
O-allyl L-seryl glycine methyl ester trifluoroacetate
CID 86671357
(2S)-N-(2-prop-2-enoxyethyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide
CID 167229386
prop-2-enyl (2R)-2-[[(2R)-2-amino-3-methylbutanoyl]amino]propanoate
CID 16070369
l-Alanyl-d-Alanin-Athylester
CID 129643644
methyl (2S)-2-[[2-(prop-2-enoxycarbonylamino)acetyl]amino]propanoate
CID 164673637
l-Alanine, N-allyloxycarbonyl-, propyl ester
CID 6422686
Alanylalanine, N,N'-dimethyl-N'-allyloxycarbonyl-, allyl ester
CID 91717713
Alanylalanine, N,N'-dimethyl-N'-allyloxycarbonyl-, butyl ester
CID 91717718
Prop-2-enyl 3-(methoxymethyl)-5-oxopiperazine-1-carboxylate
CID 9859395
Prop-2-enyl 2-(2-aminopropanoylamino)propanoate
CID 14259766

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoate?
The IUPAC name of prop-2-enyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoate (CID 14259768) is prop-2-enyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoate.
What is the SMILES notation for prop-2-enyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoate?
The canonical SMILES for prop-2-enyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoate is C=CCOC(=O)[C@H](C)NC(=O)[C@H](C)N.
What is the InChIKey of prop-2-enyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoate?
The InChIKey is OUQODMZCPBGZDY-BQBZGAKWSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-4-5-14-9(13)7(3)11-8(12)6(2)10/h4,6-7H,1,5,10H2,2-3H3,(H,11,12)/t6-,7-/m0/s1.
What are the key properties of prop-2-enyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoate?
prop-2-enyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoate has a molecular weight of 200.24 g/mol, XLogP of -0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoate is sourced from PubChem (CID 14259768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).