(2S,5R)-5-(prop-2-enoxyamino)piperidine-2-carboxylic acid

C9H16N2O3 — CID 87217262

IUPAC(2S,5R)-5-(prop-2-enoxyamino)piperidine-2-carboxylic acid
SMILESC=CCON[C@@H]1CC[C@@H](C(=O)O)NC1
InChIInChI=1S/C9H16N2O3/c1-2-5-14-11-7-3-4-8(9(12)13)10-6-7/h2,7-8,10-11H,1,3-6H2,(H,12,13)/t7-,8+/m1/s1
InChIKeyUKGMRYJBNLZXRT-SFYZADRCSA-N
MW200.24 g/mol
LogP-0.10
Rot. Bonds5

About (2S,5R)-5-(prop-2-enoxyamino)piperidine-2-carboxylic acid

(2S,5R)-5-(prop-2-enoxyamino)piperidine-2-carboxylic acid (PubChem CID 87217262) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is (2S,5R)-5-(prop-2-enoxyamino)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,5R)-5-(prop-2-enoxyamino)piperidine-2-carboxylic acid
PubChem CID87217262
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name(2S,5R)-5-(prop-2-enoxyamino)piperidine-2-carboxylic acid
SMILESC=CCON[C@@H]1CC[C@@H](C(=O)O)NC1
InChIInChI=1S/C9H16N2O3/c1-2-5-14-11-7-3-4-8(9(12)13)10-6-7/h2,7-8,10-11H,1,3-6H2,(H,12,13)/t7-,8+/m1/s1
InChIKeyUKGMRYJBNLZXRT-SFYZADRCSA-N
XLogP-0.10
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.10
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(prop-2-enoxyamino)piperidine-2-carboxylic acid?
The IUPAC name of (2S,5R)-5-(prop-2-enoxyamino)piperidine-2-carboxylic acid (CID 87217262) is (2S,5R)-5-(prop-2-enoxyamino)piperidine-2-carboxylic acid.
What is the SMILES notation for (2S,5R)-5-(prop-2-enoxyamino)piperidine-2-carboxylic acid?
The canonical SMILES for (2S,5R)-5-(prop-2-enoxyamino)piperidine-2-carboxylic acid is C=CCON[C@@H]1CC[C@@H](C(=O)O)NC1.
What is the InChIKey of (2S,5R)-5-(prop-2-enoxyamino)piperidine-2-carboxylic acid?
The InChIKey is UKGMRYJBNLZXRT-SFYZADRCSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-2-5-14-11-7-3-4-8(9(12)13)10-6-7/h2,7-8,10-11H,1,3-6H2,(H,12,13)/t7-,8+/m1/s1.
What are the key properties of (2S,5R)-5-(prop-2-enoxyamino)piperidine-2-carboxylic acid?
(2S,5R)-5-(prop-2-enoxyamino)piperidine-2-carboxylic acid has a molecular weight of 200.24 g/mol, XLogP of -0.10, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(prop-2-enoxyamino)piperidine-2-carboxylic acid is sourced from PubChem (CID 87217262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).