(2S)-1-[2-[[(3R)-piperidin-3-yl]amino]acetyl]pyrrolidine-2-carboxamide

C12H22N4O2 — CID 57341087

IUPAC(2S)-1-[2-[[(3R)-piperidin-3-yl]amino]acetyl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCN1C(=O)CN[C@@H]1CCCNC1
InChIInChI=1S/C12H22N4O2/c13-12(18)10-4-2-6-16(10)11(17)8-15-9-3-1-5-14-7-9/h9-10,14-15H,1-8H2,(H2,13,18)/t9-,10+/m1/s1
InChIKeyUNDZYDKTCJHHQO-ZJUUUORDSA-N
MW254.33 g/mol
LogP-1.20
Rot. Bonds4

About (2S)-1-[2-[[(3R)-piperidin-3-yl]amino]acetyl]pyrrolidine-2-carboxamide

(2S)-1-[2-[[(3R)-piperidin-3-yl]amino]acetyl]pyrrolidine-2-carboxamide (PubChem CID 57341087) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is (2S)-1-[2-[[(3R)-piperidin-3-yl]amino]acetyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[2-[[(3R)-piperidin-3-yl]amino]acetyl]pyrrolidine-2-carboxamide
PubChem CID57341087
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name(2S)-1-[2-[[(3R)-piperidin-3-yl]amino]acetyl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCN1C(=O)CN[C@@H]1CCCNC1
InChIInChI=1S/C12H22N4O2/c13-12(18)10-4-2-6-16(10)11(17)8-15-9-3-1-5-14-7-9/h9-10,14-15H,1-8H2,(H2,13,18)/t9-,10+/m1/s1
InChIKeyUNDZYDKTCJHHQO-ZJUUUORDSA-N
XLogP-1.20
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 5-1.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-[[(3R)-piperidin-3-yl]amino]acetyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[2-[[(3R)-piperidin-3-yl]amino]acetyl]pyrrolidine-2-carboxamide (CID 57341087) is (2S)-1-[2-[[(3R)-piperidin-3-yl]amino]acetyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[2-[[(3R)-piperidin-3-yl]amino]acetyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[2-[[(3R)-piperidin-3-yl]amino]acetyl]pyrrolidine-2-carboxamide is NC(=O)[C@@H]1CCCN1C(=O)CN[C@@H]1CCCNC1.
What is the InChIKey of (2S)-1-[2-[[(3R)-piperidin-3-yl]amino]acetyl]pyrrolidine-2-carboxamide?
The InChIKey is UNDZYDKTCJHHQO-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H22N4O2/c13-12(18)10-4-2-6-16(10)11(17)8-15-9-3-1-5-14-7-9/h9-10,14-15H,1-8H2,(H2,13,18)/t9-,10+/m1/s1.
What are the key properties of (2S)-1-[2-[[(3R)-piperidin-3-yl]amino]acetyl]pyrrolidine-2-carboxamide?
(2S)-1-[2-[[(3R)-piperidin-3-yl]amino]acetyl]pyrrolidine-2-carboxamide has a molecular weight of 254.33 g/mol, XLogP of -1.20, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-[[(3R)-piperidin-3-yl]amino]acetyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 57341087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).