(2R)-4-hydroxy-2-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)amino]butanoic acid

C12H20N2O5 — CID 107828807

IUPAC(2R)-4-hydroxy-2-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)amino]butanoic acid
SMILESO=C(O)[C@@H](CCO)NC(=O)N1CC2CCC(O)C2C1
InChIInChI=1S/C12H20N2O5/c15-4-3-9(11(17)18)13-12(19)14-5-7-1-2-10(16)8(7)6-14/h7-10,15-16H,1-6H2,(H,13,19)(H,17,18)/t7?,8?,9-,10?/m1/s1
InChIKeyOQGWWVSTRGUORT-OWTMBLHMSA-N
MW272.30 g/mol
LogP-0.77
Rot. Bonds4

About (2R)-4-hydroxy-2-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)amino]butanoic acid

(2R)-4-hydroxy-2-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)amino]butanoic acid (PubChem CID 107828807) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is (2R)-4-hydroxy-2-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(2R)-4-hydroxy-2-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)amino]butanoic acid
PubChem CID107828807
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name(2R)-4-hydroxy-2-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)amino]butanoic acid
SMILESO=C(O)[C@@H](CCO)NC(=O)N1CC2CCC(O)C2C1
InChIInChI=1S/C12H20N2O5/c15-4-3-9(11(17)18)13-12(19)14-5-7-1-2-10(16)8(7)6-14/h7-10,15-16H,1-6H2,(H,13,19)(H,17,18)/t7?,8?,9-,10?/m1/s1
InChIKeyOQGWWVSTRGUORT-OWTMBLHMSA-N
XLogP-0.77
TPSA110.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 5-0.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)amino]-3-methoxypropanoic acid
CID 113399333
(2S)-4-hydroxy-2-[(3-hydroxypyrrolidine-1-carbonyl)amino]butanoic acid
CID 107827615
4-hydroxy-2-[(3-hydroxypiperidine-1-carbonyl)amino]butanoic acid
CID 61439608
(2S)-2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)-3-hydroxypropanoic acid
CID 115560817
2-[(3-carbamoylpyrrolidine-1-carbonyl)amino]-4-hydroxybutanoic acid
CID 114082317
(2R)-4-hydroxy-2-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 107826333
(2R)-4-hydroxy-2-[(3-propan-2-ylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 114005820
(2S)-2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)butanedioic acid
CID 115560906
(2S)-2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)-5-amino-5-oxopentanoic acid
CID 115560861
2-[(4-cyclopropylpiperazine-1-carbonyl)amino]-4-hydroxybutanoic acid
CID 61442848
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)-5-amino-5-oxopentanoic acid
CID 115560943
(2R)-2-[(3-carbamoylpiperidine-1-carbonyl)amino]-4-hydroxybutanoic acid
CID 107825829

Frequently Asked Questions

What is the IUPAC name of (2R)-4-hydroxy-2-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)amino]butanoic acid?
The IUPAC name of (2R)-4-hydroxy-2-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)amino]butanoic acid (CID 107828807) is (2R)-4-hydroxy-2-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)amino]butanoic acid.
What is the SMILES notation for (2R)-4-hydroxy-2-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)amino]butanoic acid?
The canonical SMILES for (2R)-4-hydroxy-2-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)amino]butanoic acid is O=C(O)[C@@H](CCO)NC(=O)N1CC2CCC(O)C2C1.
What is the InChIKey of (2R)-4-hydroxy-2-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)amino]butanoic acid?
The InChIKey is OQGWWVSTRGUORT-OWTMBLHMSA-N. The full InChI is InChI=1S/C12H20N2O5/c15-4-3-9(11(17)18)13-12(19)14-5-7-1-2-10(16)8(7)6-14/h7-10,15-16H,1-6H2,(H,13,19)(H,17,18)/t7?,8?,9-,10?/m1/s1.
What are the key properties of (2R)-4-hydroxy-2-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)amino]butanoic acid?
(2R)-4-hydroxy-2-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)amino]butanoic acid has a molecular weight of 272.30 g/mol, XLogP of -0.77, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-hydroxy-2-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)amino]butanoic acid is sourced from PubChem (CID 107828807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).