(2S)-1-[2-(cyclopentylcarbamoylamino)acetyl]-N-cyclopropylpyrrolidine-2-carboxamide

C16H26N4O3 — CID 142833402

IUPAC(2S)-1-[2-(cyclopentylcarbamoylamino)acetyl]-N-cyclopropylpyrrolidine-2-carboxamide
SMILESO=C(NCC(=O)N1CCC[C@H]1C(=O)NC1CC1)NC1CCCC1
InChIInChI=1S/C16H26N4O3/c21-14(10-17-16(23)19-11-4-1-2-5-11)20-9-3-6-13(20)15(22)18-12-7-8-12/h11-13H,1-10H2,(H,18,22)(H2,17,19,23)/t13-/m0/s1
InChIKeyRBKXETFFPGONQV-ZDUSSCGKSA-N
MW322.41 g/mol
LogP0.50
Rot. Bonds5

About (2S)-1-[2-(cyclopentylcarbamoylamino)acetyl]-N-cyclopropylpyrrolidine-2-carboxamide

(2S)-1-[2-(cyclopentylcarbamoylamino)acetyl]-N-cyclopropylpyrrolidine-2-carboxamide (PubChem CID 142833402) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is (2S)-1-[2-(cyclopentylcarbamoylamino)acetyl]-N-cyclopropylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[2-(cyclopentylcarbamoylamino)acetyl]-N-cyclopropylpyrrolidine-2-carboxamide
PubChem CID142833402
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Name(2S)-1-[2-(cyclopentylcarbamoylamino)acetyl]-N-cyclopropylpyrrolidine-2-carboxamide
SMILESO=C(NCC(=O)N1CCC[C@H]1C(=O)NC1CC1)NC1CCCC1
InChIInChI=1S/C16H26N4O3/c21-14(10-17-16(23)19-11-4-1-2-5-11)20-9-3-6-13(20)15(22)18-12-7-8-12/h11-13H,1-10H2,(H,18,22)(H2,17,19,23)/t13-/m0/s1
InChIKeyRBKXETFFPGONQV-ZDUSSCGKSA-N
XLogP0.50
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-N-cyclohexyl-2-N-cyclopropylpyrrolidine-1,2-dicarboxamide
CID 1445867
N-cyclopropyl-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide
CID 60733576
1-(3-aminopropanoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 60939858
(2S)-1-butanoyl-N-cyclopropylpyrrolidine-2-carboxamide
CID 142833452
N-cyclopropyl-1-[2-[(1R,2S)-2-hydroxycyclohexyl]acetyl]pyrrolidine-2-carboxamide
CID 122139792
1-(5-chloropentanoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 54875325
N-cyclopropyl-1-[2-(thiophene-2-carbonylamino)acetyl]pyrrolidine-2-carboxamide
CID 136526356
(2S)-1-acetyl-N-cyclopropylpyrrolidine-2-carboxamide
CID 143443492
N-cyclopropyl-1-(2-piperidin-4-ylacetyl)pyrrolidine-2-carboxamide
CID 61029481
(2S)-N-cyclohexyl-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 110285757
1-[2-(cyclopentylamino)acetyl]-N-methylpyrrolidine-2-carboxamide
CID 60952576
1-[2-(4-aminopiperidin-1-yl)acetyl]-N-cyclopropylpyrrolidine-2-carboxamide
CID 79323069

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(cyclopentylcarbamoylamino)acetyl]-N-cyclopropylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[2-(cyclopentylcarbamoylamino)acetyl]-N-cyclopropylpyrrolidine-2-carboxamide (CID 142833402) is (2S)-1-[2-(cyclopentylcarbamoylamino)acetyl]-N-cyclopropylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[2-(cyclopentylcarbamoylamino)acetyl]-N-cyclopropylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[2-(cyclopentylcarbamoylamino)acetyl]-N-cyclopropylpyrrolidine-2-carboxamide is O=C(NCC(=O)N1CCC[C@H]1C(=O)NC1CC1)NC1CCCC1.
What is the InChIKey of (2S)-1-[2-(cyclopentylcarbamoylamino)acetyl]-N-cyclopropylpyrrolidine-2-carboxamide?
The InChIKey is RBKXETFFPGONQV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H26N4O3/c21-14(10-17-16(23)19-11-4-1-2-5-11)20-9-3-6-13(20)15(22)18-12-7-8-12/h11-13H,1-10H2,(H,18,22)(H2,17,19,23)/t13-/m0/s1.
What are the key properties of (2S)-1-[2-(cyclopentylcarbamoylamino)acetyl]-N-cyclopropylpyrrolidine-2-carboxamide?
(2S)-1-[2-(cyclopentylcarbamoylamino)acetyl]-N-cyclopropylpyrrolidine-2-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 0.50, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(cyclopentylcarbamoylamino)acetyl]-N-cyclopropylpyrrolidine-2-carboxamide is sourced from PubChem (CID 142833402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).