(2R)-1-[[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]pyrrolidine-2-carboxylic acid

C10H15N5O4 — CID 139322097

IUPAC(2R)-1-[[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]pyrrolidine-2-carboxylic acid
SMILESNCc1noc(CNC(=O)N2CCC[C@@H]2C(=O)O)n1
InChIInChI=1S/C10H15N5O4/c11-4-7-13-8(19-14-7)5-12-10(18)15-3-1-2-6(15)9(16)17/h6H,1-5,11H2,(H,12,18)(H,16,17)/t6-/m1/s1
InChIKeyKSAWYXZSFAAUEE-ZCFIWIBFSA-N
MW269.26 g/mol
LogP-0.71
Rot. Bonds4

About (2R)-1-[[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]pyrrolidine-2-carboxylic acid

(2R)-1-[[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 139322097) has the molecular formula C10H15N5O4 and a molecular weight of 269.26 g/mol. Its IUPAC name is (2R)-1-[[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID139322097
Molecular FormulaC10H15N5O4
Molecular Weight269.26 g/mol
Exact Mass269.11
IUPAC Name(2R)-1-[[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]pyrrolidine-2-carboxylic acid
SMILESNCc1noc(CNC(=O)N2CCC[C@@H]2C(=O)O)n1
InChIInChI=1S/C10H15N5O4/c11-4-7-13-8(19-14-7)5-12-10(18)15-3-1-2-6(15)9(16)17/h6H,1-5,11H2,(H,12,18)(H,16,17)/t6-/m1/s1
InChIKeyKSAWYXZSFAAUEE-ZCFIWIBFSA-N
XLogP-0.71
TPSA134.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R)-1-[[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]pyrrolidine-2-carboxylic acid with MolForge

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Related Compounds

(2R)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922501
(2S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 106374898
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 113363783
(2R)-1-[[3-[(1S)-1-amino-2-(1H-imidazol-5-yl)ethyl]-1,2,4-oxadiazol-5-yl]methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 167189689
1-(1,2-oxazol-3-ylmethylcarbamoyl)piperidine-2-carboxylic acid
CID 81178491
1-[(1-methylpyrazol-3-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 82873969
(2R)-1-[(5-methylthiophen-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922682
(2S)-1-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 114184444
(2S)-1-[(4-methoxyphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 28509945
(2R)-1-[(4-methoxyphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922749
1-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-2-carboxylic acid
CID 43355954
1-[(2-ethylphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 64695971

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]pyrrolidine-2-carboxylic acid (CID 139322097) is (2R)-1-[[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]pyrrolidine-2-carboxylic acid is NCc1noc(CNC(=O)N2CCC[C@@H]2C(=O)O)n1.
What is the InChIKey of (2R)-1-[[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is KSAWYXZSFAAUEE-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H15N5O4/c11-4-7-13-8(19-14-7)5-12-10(18)15-3-1-2-6(15)9(16)17/h6H,1-5,11H2,(H,12,18)(H,16,17)/t6-/m1/s1.
What are the key properties of (2R)-1-[[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 269.26 g/mol, XLogP of -0.71, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 139322097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).