(2R,4R)-1-[2-(1-aminocyclopentyl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid

C12H20N2O4 — CID 79000054

IUPAC(2R,4R)-1-[2-(1-aminocyclopentyl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESNC1(CC(=O)N2C[C@H](O)C[C@@H]2C(=O)O)CCCC1
InChIInChI=1S/C12H20N2O4/c13-12(3-1-2-4-12)6-10(16)14-7-8(15)5-9(14)11(17)18/h8-9,15H,1-7,13H2,(H,17,18)/t8-,9-/m1/s1
InChIKeyQBSADMYVIAXDSI-RKDXNWHRSA-N
MW256.30 g/mol
LogP-0.31
Rot. Bonds3

About (2R,4R)-1-[2-(1-aminocyclopentyl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid

(2R,4R)-1-[2-(1-aminocyclopentyl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 79000054) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is (2R,4R)-1-[2-(1-aminocyclopentyl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-1-[2-(1-aminocyclopentyl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID79000054
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name(2R,4R)-1-[2-(1-aminocyclopentyl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESNC1(CC(=O)N2C[C@H](O)C[C@@H]2C(=O)O)CCCC1
InChIInChI=1S/C12H20N2O4/c13-12(3-1-2-4-12)6-10(16)14-7-8(15)5-9(14)11(17)18/h8-9,15H,1-7,13H2,(H,17,18)/t8-,9-/m1/s1
InChIKeyQBSADMYVIAXDSI-RKDXNWHRSA-N
XLogP-0.31
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[2-(1-aminocyclohexyl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64677366
1-[2-[1-(aminomethyl)cyclobutyl]acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 81172474
(2S)-1-[2-[1-(aminomethyl)cyclobutyl]acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 81171783
(2S,4R)-4-hydroxy-1-[2-[1-(methylamino)cyclohexyl]acetyl]pyrrolidine-2-carboxylic acid
CID 65242000
(2S,4S)-1-(2-chloroacetyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 46841621
(2S,4S)-1-(2-aminoacetyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64713362
(2S,4R)-1-(1-aminocyclohexanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63844209
(2S,4S)-1-(2-cyclohexylacetyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64713322
4-hydroxy-1-(1-methylcyclohexanecarbonyl)pyrrolidine-2-carboxylic acid
CID 106826144
(2R)-1-[2-(1-aminocyclohexyl)acetyl]pyrrolidine-2-carboxylic acid
CID 64677043
(2S,4S)-1-[1-(aminomethyl)cyclohexanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 115437924
(2S)-1-[1-(aminomethyl)cycloheptanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 115443975

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-1-[2-(1-aminocyclopentyl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,4R)-1-[2-(1-aminocyclopentyl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid (CID 79000054) is (2R,4R)-1-[2-(1-aminocyclopentyl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,4R)-1-[2-(1-aminocyclopentyl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,4R)-1-[2-(1-aminocyclopentyl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid is NC1(CC(=O)N2C[C@H](O)C[C@@H]2C(=O)O)CCCC1.
What is the InChIKey of (2R,4R)-1-[2-(1-aminocyclopentyl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is QBSADMYVIAXDSI-RKDXNWHRSA-N. The full InChI is InChI=1S/C12H20N2O4/c13-12(3-1-2-4-12)6-10(16)14-7-8(15)5-9(14)11(17)18/h8-9,15H,1-7,13H2,(H,17,18)/t8-,9-/m1/s1.
What are the key properties of (2R,4R)-1-[2-(1-aminocyclopentyl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid?
(2R,4R)-1-[2-(1-aminocyclopentyl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of -0.31, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-1-[2-(1-aminocyclopentyl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 79000054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).