(2R)-2-[(4-propan-2-ylpiperazine-1-carbonyl)amino]pentanoic acid

C13H25N3O3 — CID 107566252

IUPAC(2R)-2-[(4-propan-2-ylpiperazine-1-carbonyl)amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)N1CCN(C(C)C)CC1)C(=O)O
InChIInChI=1S/C13H25N3O3/c1-4-5-11(12(17)18)14-13(19)16-8-6-15(7-9-16)10(2)3/h10-11H,4-9H2,1-3H3,(H,14,19)(H,17,18)/t11-/m1/s1
InChIKeyCMLPMLWQVHQNIH-LLVKDONJSA-N
MW271.36 g/mol
LogP0.98
Rot. Bonds5

About (2R)-2-[(4-propan-2-ylpiperazine-1-carbonyl)amino]pentanoic acid

(2R)-2-[(4-propan-2-ylpiperazine-1-carbonyl)amino]pentanoic acid (PubChem CID 107566252) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is (2R)-2-[(4-propan-2-ylpiperazine-1-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(4-propan-2-ylpiperazine-1-carbonyl)amino]pentanoic acid
PubChem CID107566252
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name(2R)-2-[(4-propan-2-ylpiperazine-1-carbonyl)amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)N1CCN(C(C)C)CC1)C(=O)O
InChIInChI=1S/C13H25N3O3/c1-4-5-11(12(17)18)14-13(19)16-8-6-15(7-9-16)10(2)3/h10-11H,4-9H2,1-3H3,(H,14,19)(H,17,18)/t11-/m1/s1
InChIKeyCMLPMLWQVHQNIH-LLVKDONJSA-N
XLogP0.98
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(4-methylpiperazine-1-carbonyl)amino]pentanoic acid
CID 107565857
(2S)-2-[(4-acetyl-1,4-diazepane-1-carbonyl)amino]pentanoic acid
CID 107566616
(2R)-2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]pentanoic acid
CID 107566112
2-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]pentanoic acid
CID 63162284
(2S)-2-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]pentanoic acid
CID 107567840
(2S)-2-[[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]amino]pentanoic acid
CID 107566878
2-(1,4-oxazepane-4-carbonylamino)pentanoic acid
CID 62968340
(2R)-2-(1,4-oxazepane-4-carbonylamino)pentanoic acid
CID 107566897
(2S)-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]pentanoic acid
CID 107567485
(2S)-2-[(4-methylazepane-1-carbonyl)amino]pentanoic acid
CID 107566997
(2R)-2-[(4-butan-2-ylpiperazine-1-carbonyl)amino]-3-hydroxypropanoic acid
CID 80757592
(2R)-2-(3,6-dihydro-2H-pyridine-1-carbonylamino)pentanoic acid
CID 107567733

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-propan-2-ylpiperazine-1-carbonyl)amino]pentanoic acid?
The IUPAC name of (2R)-2-[(4-propan-2-ylpiperazine-1-carbonyl)amino]pentanoic acid (CID 107566252) is (2R)-2-[(4-propan-2-ylpiperazine-1-carbonyl)amino]pentanoic acid.
What is the SMILES notation for (2R)-2-[(4-propan-2-ylpiperazine-1-carbonyl)amino]pentanoic acid?
The canonical SMILES for (2R)-2-[(4-propan-2-ylpiperazine-1-carbonyl)amino]pentanoic acid is CCC[C@@H](NC(=O)N1CCN(C(C)C)CC1)C(=O)O.
What is the InChIKey of (2R)-2-[(4-propan-2-ylpiperazine-1-carbonyl)amino]pentanoic acid?
The InChIKey is CMLPMLWQVHQNIH-LLVKDONJSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-4-5-11(12(17)18)14-13(19)16-8-6-15(7-9-16)10(2)3/h10-11H,4-9H2,1-3H3,(H,14,19)(H,17,18)/t11-/m1/s1.
What are the key properties of (2R)-2-[(4-propan-2-ylpiperazine-1-carbonyl)amino]pentanoic acid?
(2R)-2-[(4-propan-2-ylpiperazine-1-carbonyl)amino]pentanoic acid has a molecular weight of 271.36 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-propan-2-ylpiperazine-1-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 107566252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).