(2R,5R)-5-[1-(ethynoxyamino)ethyl]pyrrolidine-2-carboxylic acid

C9H14N2O3 — CID 59911159

IUPAC(2R,5R)-5-[1-(ethynoxyamino)ethyl]pyrrolidine-2-carboxylic acid
SMILESC#CONC(C)[C@H]1CC[C@H](C(=O)O)N1
InChIInChI=1S/C9H14N2O3/c1-3-14-11-6(2)7-4-5-8(10-7)9(12)13/h1,6-8,10-11H,4-5H2,2H3,(H,12,13)/t6?,7-,8-/m1/s1
InChIKeyVBOJAIHSYIRSBY-SPDVFEMOSA-N
MW198.22 g/mol
LogP-0.31
Rot. Bonds4

About (2R,5R)-5-[1-(ethynoxyamino)ethyl]pyrrolidine-2-carboxylic acid

(2R,5R)-5-[1-(ethynoxyamino)ethyl]pyrrolidine-2-carboxylic acid (PubChem CID 59911159) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is (2R,5R)-5-[1-(ethynoxyamino)ethyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5R)-5-[1-(ethynoxyamino)ethyl]pyrrolidine-2-carboxylic acid
PubChem CID59911159
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name(2R,5R)-5-[1-(ethynoxyamino)ethyl]pyrrolidine-2-carboxylic acid
SMILESC#CONC(C)[C@H]1CC[C@H](C(=O)O)N1
InChIInChI=1S/C9H14N2O3/c1-3-14-11-6(2)7-4-5-8(10-7)9(12)13/h1,6-8,10-11H,4-5H2,2H3,(H,12,13)/t6?,7-,8-/m1/s1
InChIKeyVBOJAIHSYIRSBY-SPDVFEMOSA-N
XLogP-0.31
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R,4R,5R)-4-acetyl-5-[1-(ethynoxyamino)ethyl]pyrrolidine-2-carboxylic acid
CID 59911178
(2S,5S)-5-(1-carboxyethyl)pyrrolidine-2-carboxylic acid
CID 101341979
5-(1-methoxypropan-2-yl)pyrrolidine-2-carboxylic acid
CID 112575064
5-(3-methylbutan-2-yl)pyrrolidine-2-carboxylic acid
CID 130705030
(2S,5S)-5-(1-carboxypropyl)pyrrolidine-2-carboxylic acid
CID 143979713
(2S,5R)-5-methylpyrrolidine-2-carboxylic acid
CID 6995039
5-(propan-2-yloxymethyl)pyrrolidine-2-carboxylic acid
CID 112574811
5-(methoxymethyl)pyrrolidine-2-carboxylic acid
CID 112575004
1-[(2R,3R,5R)-5-acetyl-2-[1-(ethynoxyamino)ethyl]-1-methylpyrrolidin-3-yl]ethanone
CID 59911103
1-[4-amino-5-[1-(ethynoxyamino)ethyl]-1-methylpyrrolidin-2-yl]ethanone
CID 23384662
(2S,4R)-4-(dimethoxymethyl)azetidine-2-carboxylic acid
CID 18640525
2-methyl-1-(5-propan-2-ylpyrrolidin-2-yl)propan-1-one
CID 129290042

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-5-[1-(ethynoxyamino)ethyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,5R)-5-[1-(ethynoxyamino)ethyl]pyrrolidine-2-carboxylic acid (CID 59911159) is (2R,5R)-5-[1-(ethynoxyamino)ethyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,5R)-5-[1-(ethynoxyamino)ethyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,5R)-5-[1-(ethynoxyamino)ethyl]pyrrolidine-2-carboxylic acid is C#CONC(C)[C@H]1CC[C@H](C(=O)O)N1.
What is the InChIKey of (2R,5R)-5-[1-(ethynoxyamino)ethyl]pyrrolidine-2-carboxylic acid?
The InChIKey is VBOJAIHSYIRSBY-SPDVFEMOSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-3-14-11-6(2)7-4-5-8(10-7)9(12)13/h1,6-8,10-11H,4-5H2,2H3,(H,12,13)/t6?,7-,8-/m1/s1.
What are the key properties of (2R,5R)-5-[1-(ethynoxyamino)ethyl]pyrrolidine-2-carboxylic acid?
(2R,5R)-5-[1-(ethynoxyamino)ethyl]pyrrolidine-2-carboxylic acid has a molecular weight of 198.22 g/mol, XLogP of -0.31, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-5-[1-(ethynoxyamino)ethyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 59911159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).