(2R,4R)-4-hydroxy-1-[2-(prop-2-enylamino)acetyl]pyrrolidine-2-carboxylic acid

C10H16N2O4 — CID 79278601

IUPAC(2R,4R)-4-hydroxy-1-[2-(prop-2-enylamino)acetyl]pyrrolidine-2-carboxylic acid
SMILESC=CCNCC(=O)N1C[C@H](O)C[C@@H]1C(=O)O
InChIInChI=1S/C10H16N2O4/c1-2-3-11-5-9(14)12-6-7(13)4-8(12)10(15)16/h2,7-8,11,13H,1,3-6H2,(H,15,16)/t7-,8-/m1/s1
InChIKeyXLBWHMWNFJZBKM-HTQZYQBOSA-N
MW228.25 g/mol
LogP-1.19
Rot. Bonds5

About (2R,4R)-4-hydroxy-1-[2-(prop-2-enylamino)acetyl]pyrrolidine-2-carboxylic acid

(2R,4R)-4-hydroxy-1-[2-(prop-2-enylamino)acetyl]pyrrolidine-2-carboxylic acid (PubChem CID 79278601) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is (2R,4R)-4-hydroxy-1-[2-(prop-2-enylamino)acetyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-4-hydroxy-1-[2-(prop-2-enylamino)acetyl]pyrrolidine-2-carboxylic acid
PubChem CID79278601
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name(2R,4R)-4-hydroxy-1-[2-(prop-2-enylamino)acetyl]pyrrolidine-2-carboxylic acid
SMILESC=CCNCC(=O)N1C[C@H](O)C[C@@H]1C(=O)O
InChIInChI=1S/C10H16N2O4/c1-2-3-11-5-9(14)12-6-7(13)4-8(12)10(15)16/h2,7-8,11,13H,1,3-6H2,(H,15,16)/t7-,8-/m1/s1
InChIKeyXLBWHMWNFJZBKM-HTQZYQBOSA-N
XLogP-1.19
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-1.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-4-hydroxy-1-[2-(prop-2-ynylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 79286962
(2S,4S)-1-(2-chloroacetyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 46841621
(2S,4S)-1-(2-aminoacetyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64713362
(2R,4R)-1-(3,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 30079769
(2S,4S)-1-(2-cyclohexylacetyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64713322
(2S,4R)-1-[2-(azetidin-3-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64610216
(2S,4R)-1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79615394
(2S,4R)-1-[3-(ethylamino)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63844036
(2S)-1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79607781
1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79607866
(2S,4R)-4-hydroxy-1-(3-methylbutanoyl)pyrrolidine-2-carboxylic acid
CID 30053802
(2R,4R)-1-(2-bromoprop-2-enylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 104861258

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-hydroxy-1-[2-(prop-2-enylamino)acetyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,4R)-4-hydroxy-1-[2-(prop-2-enylamino)acetyl]pyrrolidine-2-carboxylic acid (CID 79278601) is (2R,4R)-4-hydroxy-1-[2-(prop-2-enylamino)acetyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,4R)-4-hydroxy-1-[2-(prop-2-enylamino)acetyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,4R)-4-hydroxy-1-[2-(prop-2-enylamino)acetyl]pyrrolidine-2-carboxylic acid is C=CCNCC(=O)N1C[C@H](O)C[C@@H]1C(=O)O.
What is the InChIKey of (2R,4R)-4-hydroxy-1-[2-(prop-2-enylamino)acetyl]pyrrolidine-2-carboxylic acid?
The InChIKey is XLBWHMWNFJZBKM-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-2-3-11-5-9(14)12-6-7(13)4-8(12)10(15)16/h2,7-8,11,13H,1,3-6H2,(H,15,16)/t7-,8-/m1/s1.
What are the key properties of (2R,4R)-4-hydroxy-1-[2-(prop-2-enylamino)acetyl]pyrrolidine-2-carboxylic acid?
(2R,4R)-4-hydroxy-1-[2-(prop-2-enylamino)acetyl]pyrrolidine-2-carboxylic acid has a molecular weight of 228.25 g/mol, XLogP of -1.19, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-hydroxy-1-[2-(prop-2-enylamino)acetyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 79278601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).