(2R,4S,5R)-5-[(1R,2S)-1-acetamido-2-hydroxybutyl]-4-[(Z)-prop-1-enyl]pyrrolidine-2-carboxylic acid

C14H24N2O4 — CID 10221473

IUPAC(2R,4S,5R)-5-[(1R,2S)-1-acetamido-2-hydroxybutyl]-4-[(Z)-prop-1-enyl]pyrrolidine-2-carboxylic acid
SMILESC/C=C\[C@@H]1C[C@H](C(=O)O)N[C@H]1[C@@H](NC(C)=O)[C@@H](O)CC
InChIInChI=1S/C14H24N2O4/c1-4-6-9-7-10(14(19)20)16-12(9)13(11(18)5-2)15-8(3)17/h4,6,9-13,16,18H,5,7H2,1-3H3,(H,15,17)(H,19,20)/b6-4-/t9-,10-,11+,12-,13+/m1/s1
InChIKeyAMKLTRGJKNOUNJ-YBVZABDUSA-N
MW284.36 g/mol
LogP0.27
Rot. Bonds6

About (2R,4S,5R)-5-[(1R,2S)-1-acetamido-2-hydroxybutyl]-4-[(Z)-prop-1-enyl]pyrrolidine-2-carboxylic acid

(2R,4S,5R)-5-[(1R,2S)-1-acetamido-2-hydroxybutyl]-4-[(Z)-prop-1-enyl]pyrrolidine-2-carboxylic acid (PubChem CID 10221473) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is (2R,4S,5R)-5-[(1R,2S)-1-acetamido-2-hydroxybutyl]-4-[(Z)-prop-1-enyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4S,5R)-5-[(1R,2S)-1-acetamido-2-hydroxybutyl]-4-[(Z)-prop-1-enyl]pyrrolidine-2-carboxylic acid
PubChem CID10221473
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name(2R,4S,5R)-5-[(1R,2S)-1-acetamido-2-hydroxybutyl]-4-[(Z)-prop-1-enyl]pyrrolidine-2-carboxylic acid
SMILESC/C=C\[C@@H]1C[C@H](C(=O)O)N[C@H]1[C@@H](NC(C)=O)[C@@H](O)CC
InChIInChI=1S/C14H24N2O4/c1-4-6-9-7-10(14(19)20)16-12(9)13(11(18)5-2)15-8(3)17/h4,6,9-13,16,18H,5,7H2,1-3H3,(H,15,17)(H,19,20)/b6-4-/t9-,10-,11+,12-,13+/m1/s1
InChIKeyAMKLTRGJKNOUNJ-YBVZABDUSA-N
XLogP0.27
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

A-315675
CID 6451053
(2R,4S,5R)-5-[(1S)-1-acetamido-3-methylbutyl]-4-ethenylpyrrolidine-2-carboxylic acid
CID 5329298
Pyrrolidine deriv. 30
CID 5329299
Pyrrolidine deriv. 33
CID 5329300
Pyrrolidine deriv. 35
CID 5329302
(2R,4S,5R)-5-((1R,2S)-1-acetamido-2-methoxypent-4-enyl)-4-(prop-1-enyl)pyrrolidine-2-carboxylic acid
CID 9839683
(2R,4S,5R)-5-((1R,2S)-1-acetamido-2-methoxybut-3-enyl)-4-(prop-1-enyl)pyrrolidine-2-carboxylic acid
CID 9839151
(2R,4S,5R)-5-((R)-acetamido((S,Z)-2,3,4,7-tetrahydrooxepin-2-yl)methyl)-4-(prop-1-enyl)pyrrolidine-2-carboxylic acid
CID 44447490
(2R,4S,5R)-5-((1R,2S)-1-acetamido-2-ethoxypent-4-enyl)-4-(prop-1-enyl)pyrrolidine-2-carboxylic acid
CID 9797338
(2R,4S,5R)-5-((1R,2S)-1-acetamido-2-hydroxypentyl)-4-(prop-1-enyl)pyrrolidine-2-carboxylic acid
CID 9931475
(2R,4S,5R)-5-[(1S)-1-acetamido-3-methylbutyl]-4-[(E)-prop-1-enyl]pyrrolidine-2-carboxylic acid
CID 5329297
(2R,4S,5R)-5-((1R,2R)-1-acetamido-2-hydroxy-2-methylpentyl)-4-(prop-1-enyl)pyrrolidine-2-carboxylic acid
CID 9861573

Frequently Asked Questions

What is the IUPAC name of (2R,4S,5R)-5-[(1R,2S)-1-acetamido-2-hydroxybutyl]-4-[(Z)-prop-1-enyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,4S,5R)-5-[(1R,2S)-1-acetamido-2-hydroxybutyl]-4-[(Z)-prop-1-enyl]pyrrolidine-2-carboxylic acid (CID 10221473) is (2R,4S,5R)-5-[(1R,2S)-1-acetamido-2-hydroxybutyl]-4-[(Z)-prop-1-enyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,4S,5R)-5-[(1R,2S)-1-acetamido-2-hydroxybutyl]-4-[(Z)-prop-1-enyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,4S,5R)-5-[(1R,2S)-1-acetamido-2-hydroxybutyl]-4-[(Z)-prop-1-enyl]pyrrolidine-2-carboxylic acid is C/C=C\[C@@H]1C[C@H](C(=O)O)N[C@H]1[C@@H](NC(C)=O)[C@@H](O)CC.
What is the InChIKey of (2R,4S,5R)-5-[(1R,2S)-1-acetamido-2-hydroxybutyl]-4-[(Z)-prop-1-enyl]pyrrolidine-2-carboxylic acid?
The InChIKey is AMKLTRGJKNOUNJ-YBVZABDUSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-4-6-9-7-10(14(19)20)16-12(9)13(11(18)5-2)15-8(3)17/h4,6,9-13,16,18H,5,7H2,1-3H3,(H,15,17)(H,19,20)/b6-4-/t9-,10-,11+,12-,13+/m1/s1.
What are the key properties of (2R,4S,5R)-5-[(1R,2S)-1-acetamido-2-hydroxybutyl]-4-[(Z)-prop-1-enyl]pyrrolidine-2-carboxylic acid?
(2R,4S,5R)-5-[(1R,2S)-1-acetamido-2-hydroxybutyl]-4-[(Z)-prop-1-enyl]pyrrolidine-2-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 0.27, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5R)-5-[(1R,2S)-1-acetamido-2-hydroxybutyl]-4-[(Z)-prop-1-enyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 10221473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).