(2S,4R)-1-(2-aminoacetyl)-4-prop-2-enoxypyrrolidine-2-carboxylic acid

C10H16N2O4 — CID 138750394

IUPAC(2S,4R)-1-(2-aminoacetyl)-4-prop-2-enoxypyrrolidine-2-carboxylic acid
SMILESC=CCO[C@@H]1C[C@@H](C(=O)O)N(C(=O)CN)C1
InChIInChI=1S/C10H16N2O4/c1-2-3-16-7-4-8(10(14)15)12(6-7)9(13)5-11/h2,7-8H,1,3-6,11H2,(H,14,15)/t7-,8+/m1/s1
InChIKeyUZQGVLBKFDOSPP-SFYZADRCSA-N
MW228.25 g/mol
LogP-0.80
Rot. Bonds5

About (2S,4R)-1-(2-aminoacetyl)-4-prop-2-enoxypyrrolidine-2-carboxylic acid

(2S,4R)-1-(2-aminoacetyl)-4-prop-2-enoxypyrrolidine-2-carboxylic acid (PubChem CID 138750394) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is (2S,4R)-1-(2-aminoacetyl)-4-prop-2-enoxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-1-(2-aminoacetyl)-4-prop-2-enoxypyrrolidine-2-carboxylic acid
PubChem CID138750394
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name(2S,4R)-1-(2-aminoacetyl)-4-prop-2-enoxypyrrolidine-2-carboxylic acid
SMILESC=CCO[C@@H]1C[C@@H](C(=O)O)N(C(=O)CN)C1
InChIInChI=1S/C10H16N2O4/c1-2-3-16-7-4-8(10(14)15)12(6-7)9(13)5-11/h2,7-8H,1,3-6,11H2,(H,14,15)/t7-,8+/m1/s1
InChIKeyUZQGVLBKFDOSPP-SFYZADRCSA-N
XLogP-0.80
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S,4R)-1-(2-methyl-3-sulfanylpropanoyl)-4-prop-2-enoxypyrrolidine-2-carboxylic acid
CID 54259808
(2S,4S)-1-(2-aminoacetyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64713362
4-(2-fluoroethoxy)pyrrolidine-1,2-dicarboxylic acid
CID 139666877
1-[2-[(2-aminoacetyl)amino]acetyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 61159252
(2S,4R)-4-prop-2-ynoxypyrrolidine-1,2-dicarboxylic acid
CID 118383825
(2S,4R)-1-acetyl-4-propoxypyrrolidine-2-carboxylic acid
CID 12849539
1-[3-(aminomethyl)pentanoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 81086647
1-[(4S)-4-amino-4-carboxybutanoyl]-4-phenylmethoxypyrrolidine-2-carboxylic acid
CID 118243652
(2R,4S)-1-(2-iodoacetyl)-4-trimethylsilyloxypyrrolidine-2-carboxylic acid
CID 68759600
(2S,4R)-1-(2-chloroacetyl)-4-trimethylsilyloxypyrrolidine-2-carboxylic acid
CID 66996368
4-methoxy-1-nonanoylpyrrolidine-2-carboxylic acid
CID 43359772
(2S)-1-[(2S)-2-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]-4-prop-2-enoxypyrrolidine-2-carboxylic acid
CID 22881982

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-(2-aminoacetyl)-4-prop-2-enoxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-1-(2-aminoacetyl)-4-prop-2-enoxypyrrolidine-2-carboxylic acid (CID 138750394) is (2S,4R)-1-(2-aminoacetyl)-4-prop-2-enoxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-1-(2-aminoacetyl)-4-prop-2-enoxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-1-(2-aminoacetyl)-4-prop-2-enoxypyrrolidine-2-carboxylic acid is C=CCO[C@@H]1C[C@@H](C(=O)O)N(C(=O)CN)C1.
What is the InChIKey of (2S,4R)-1-(2-aminoacetyl)-4-prop-2-enoxypyrrolidine-2-carboxylic acid?
The InChIKey is UZQGVLBKFDOSPP-SFYZADRCSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-2-3-16-7-4-8(10(14)15)12(6-7)9(13)5-11/h2,7-8H,1,3-6,11H2,(H,14,15)/t7-,8+/m1/s1.
What are the key properties of (2S,4R)-1-(2-aminoacetyl)-4-prop-2-enoxypyrrolidine-2-carboxylic acid?
(2S,4R)-1-(2-aminoacetyl)-4-prop-2-enoxypyrrolidine-2-carboxylic acid has a molecular weight of 228.25 g/mol, XLogP of -0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-(2-aminoacetyl)-4-prop-2-enoxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 138750394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).