(2S)-1-[2-[[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]acetyl]piperidine-2-carboxamide

C19H33N5O4 — CID 73348400

IUPAC(2S)-1-[2-[[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]acetyl]piperidine-2-carboxamide
SMILESCC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)NCC(=O)N1CCCC[C@H]1C(N)=O
InChIInChI=1S/C19H33N5O4/c1-12(2)10-14(23-19(28)13-6-5-8-21-13)18(27)22-11-16(25)24-9-4-3-7-15(24)17(20)26/h12-15,21H,3-11H2,1-2H3,(H2,20,26)(H,22,27)(H,23,28)/t13-,14-,15-/m0/s1
InChIKeyGSYPCFMSFZVEIP-KKUMJFAQSA-N
MW395.50 g/mol
LogP-0.75
Rot. Bonds8

About (2S)-1-[2-[[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]acetyl]piperidine-2-carboxamide

(2S)-1-[2-[[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]acetyl]piperidine-2-carboxamide (PubChem CID 73348400) has the molecular formula C19H33N5O4 and a molecular weight of 395.50 g/mol. Its IUPAC name is (2S)-1-[2-[[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]acetyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[2-[[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]acetyl]piperidine-2-carboxamide
PubChem CID73348400
Molecular FormulaC19H33N5O4
Molecular Weight395.50 g/mol
Exact Mass395.25
IUPAC Name(2S)-1-[2-[[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]acetyl]piperidine-2-carboxamide
SMILESCC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)NCC(=O)N1CCCC[C@H]1C(N)=O
InChIInChI=1S/C19H33N5O4/c1-12(2)10-14(23-19(28)13-6-5-8-21-13)18(27)22-11-16(25)24-9-4-3-7-15(24)17(20)26/h12-15,21H,3-11H2,1-2H3,(H2,20,26)(H,22,27)(H,23,28)/t13-,14-,15-/m0/s1
InChIKeyGSYPCFMSFZVEIP-KKUMJFAQSA-N
XLogP-0.75
TPSA133.63 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 5-0.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-[[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]acetyl]piperidine-2-carboxamide?
The IUPAC name of (2S)-1-[2-[[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]acetyl]piperidine-2-carboxamide (CID 73348400) is (2S)-1-[2-[[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]acetyl]piperidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[2-[[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]acetyl]piperidine-2-carboxamide?
The canonical SMILES for (2S)-1-[2-[[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]acetyl]piperidine-2-carboxamide is CC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)NCC(=O)N1CCCC[C@H]1C(N)=O.
What is the InChIKey of (2S)-1-[2-[[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]acetyl]piperidine-2-carboxamide?
The InChIKey is GSYPCFMSFZVEIP-KKUMJFAQSA-N. The full InChI is InChI=1S/C19H33N5O4/c1-12(2)10-14(23-19(28)13-6-5-8-21-13)18(27)22-11-16(25)24-9-4-3-7-15(24)17(20)26/h12-15,21H,3-11H2,1-2H3,(H2,20,26)(H,22,27)(H,23,28)/t13-,14-,15-/m0/s1.
What are the key properties of (2S)-1-[2-[[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]acetyl]piperidine-2-carboxamide?
(2S)-1-[2-[[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]acetyl]piperidine-2-carboxamide has a molecular weight of 395.50 g/mol, XLogP of -0.75, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-[[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]acetyl]piperidine-2-carboxamide is sourced from PubChem (CID 73348400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).