amino (2S,4R)-4-hydroxypyrrolidine-2-carboxylate

C5H10N2O3 — CID 159655489

IUPACamino (2S,4R)-4-hydroxypyrrolidine-2-carboxylate
SMILESNOC(=O)[C@@H]1C[C@@H](O)CN1
InChIInChI=1S/C5H10N2O3/c6-10-5(9)4-1-3(8)2-7-4/h3-4,7-8H,1-2,6H2/t3-,4+/m1/s1
InChIKeyDHUYJMMZSPLDNP-DMTCNVIQSA-N
MW146.15 g/mol
LogP-1.87
Rot. Bonds1

About amino (2S,4R)-4-hydroxypyrrolidine-2-carboxylate

amino (2S,4R)-4-hydroxypyrrolidine-2-carboxylate (PubChem CID 159655489) has the molecular formula C5H10N2O3 and a molecular weight of 146.15 g/mol. Its IUPAC name is amino (2S,4R)-4-hydroxypyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameamino (2S,4R)-4-hydroxypyrrolidine-2-carboxylate
PubChem CID159655489
Molecular FormulaC5H10N2O3
Molecular Weight146.15 g/mol
Exact Mass146.07
IUPAC Nameamino (2S,4R)-4-hydroxypyrrolidine-2-carboxylate
SMILESNOC(=O)[C@@H]1C[C@@H](O)CN1
InChIInChI=1S/C5H10N2O3/c6-10-5(9)4-1-3(8)2-7-4/h3-4,7-8H,1-2,6H2/t3-,4+/m1/s1
InChIKeyDHUYJMMZSPLDNP-DMTCNVIQSA-N
XLogP-1.87
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 5-1.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

L-Hydroxyproline
CID 5810
4-Hydroxyproline
CID 825
Cis-4-Hydroxy-L-Proline
CID 440015
Cis-4-Hydroxy-D-Proline
CID 440014
trans-3-hydroxy-L-proline
CID 440575
trans-hydroxy-L-proline
CID 6971053
N-Nitrosohydroxyproline
CID 61873
L-Proline, 4-hydroxy-, cis-
CID 69248
(2R,4S)-4-hydroxypyrrolidine-2-carboxylic acid
CID 440074
(2S,3S)-3-hydroxypyrrolidinium-2-carboxylate
CID 11877126
cis-3-Hydroxy-d-proline
CID 11137200
cis-4-hydroxy-D-proline zwitterion
CID 6971279

Frequently Asked Questions

What is the IUPAC name of amino (2S,4R)-4-hydroxypyrrolidine-2-carboxylate?
The IUPAC name of amino (2S,4R)-4-hydroxypyrrolidine-2-carboxylate (CID 159655489) is amino (2S,4R)-4-hydroxypyrrolidine-2-carboxylate.
What is the SMILES notation for amino (2S,4R)-4-hydroxypyrrolidine-2-carboxylate?
The canonical SMILES for amino (2S,4R)-4-hydroxypyrrolidine-2-carboxylate is NOC(=O)[C@@H]1C[C@@H](O)CN1.
What is the InChIKey of amino (2S,4R)-4-hydroxypyrrolidine-2-carboxylate?
The InChIKey is DHUYJMMZSPLDNP-DMTCNVIQSA-N. The full InChI is InChI=1S/C5H10N2O3/c6-10-5(9)4-1-3(8)2-7-4/h3-4,7-8H,1-2,6H2/t3-,4+/m1/s1.
What are the key properties of amino (2S,4R)-4-hydroxypyrrolidine-2-carboxylate?
amino (2S,4R)-4-hydroxypyrrolidine-2-carboxylate has a molecular weight of 146.15 g/mol, XLogP of -1.87, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for amino (2S,4R)-4-hydroxypyrrolidine-2-carboxylate is sourced from PubChem (CID 159655489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).