(2R)-2-[(2-ethyl-3-oxopiperazine-1-carbonyl)amino]pentanoic acid

C12H21N3O4 — CID 107566992

IUPAC(2R)-2-[(2-ethyl-3-oxopiperazine-1-carbonyl)amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)N1CCNC(=O)C1CC)C(=O)O
InChIInChI=1S/C12H21N3O4/c1-3-5-8(11(17)18)14-12(19)15-7-6-13-10(16)9(15)4-2/h8-9H,3-7H2,1-2H3,(H,13,16)(H,14,19)(H,17,18)/t8-,9?/m1/s1
InChIKeyPFOYZJUOLXWFTB-VEDVMXKPSA-N
MW271.32 g/mol
LogP0.16
Rot. Bonds5

About (2R)-2-[(2-ethyl-3-oxopiperazine-1-carbonyl)amino]pentanoic acid

(2R)-2-[(2-ethyl-3-oxopiperazine-1-carbonyl)amino]pentanoic acid (PubChem CID 107566992) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is (2R)-2-[(2-ethyl-3-oxopiperazine-1-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-ethyl-3-oxopiperazine-1-carbonyl)amino]pentanoic acid
PubChem CID107566992
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name(2R)-2-[(2-ethyl-3-oxopiperazine-1-carbonyl)amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)N1CCNC(=O)C1CC)C(=O)O
InChIInChI=1S/C12H21N3O4/c1-3-5-8(11(17)18)14-12(19)15-7-6-13-10(16)9(15)4-2/h8-9H,3-7H2,1-2H3,(H,13,16)(H,14,19)(H,17,18)/t8-,9?/m1/s1
InChIKeyPFOYZJUOLXWFTB-VEDVMXKPSA-N
XLogP0.16
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-5-amino-2-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]-5-oxopentanoic acid
CID 107830881
(2S)-2-[(2-ethyl-3,5-dioxopiperazine-1-carbonyl)amino]-4-hydroxybutanoic acid
CID 107828246
4-(2-aminopentanoyl)-3-ethylpiperazin-2-one
CID 63602807
4-[(2-ethyl-3-oxopiperazine-1-carbonyl)amino]-4-oxobut-2-enoic acid
CID 77000526
4-[(2-ethyl-3-oxopiperazine-1-carbonyl)amino]-4-oxobutanoic acid
CID 63605268
N-(2-chloropropanoyl)-2-ethyl-3-oxopiperazine-1-carboxamide
CID 55215582
2-[(5-oxo-1,4-diazepane-1-carbonyl)amino]pentanoic acid
CID 63004650
(2S)-2-[(2-ethyl-3,5-dioxopiperazine-1-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 66068025
[1-(2-ethyl-3-oxopiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]urea
CID 63601168
3-amino-4-(2-ethyl-3-oxopiperazin-1-yl)-4-oxobutanoic acid
CID 64895581
(2S)-3-methyl-2-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid
CID 63607472
3-ethyl-4-(2-ethylhexanoyl)piperazin-2-one
CID 63600640

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-ethyl-3-oxopiperazine-1-carbonyl)amino]pentanoic acid?
The IUPAC name of (2R)-2-[(2-ethyl-3-oxopiperazine-1-carbonyl)amino]pentanoic acid (CID 107566992) is (2R)-2-[(2-ethyl-3-oxopiperazine-1-carbonyl)amino]pentanoic acid.
What is the SMILES notation for (2R)-2-[(2-ethyl-3-oxopiperazine-1-carbonyl)amino]pentanoic acid?
The canonical SMILES for (2R)-2-[(2-ethyl-3-oxopiperazine-1-carbonyl)amino]pentanoic acid is CCC[C@@H](NC(=O)N1CCNC(=O)C1CC)C(=O)O.
What is the InChIKey of (2R)-2-[(2-ethyl-3-oxopiperazine-1-carbonyl)amino]pentanoic acid?
The InChIKey is PFOYZJUOLXWFTB-VEDVMXKPSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-3-5-8(11(17)18)14-12(19)15-7-6-13-10(16)9(15)4-2/h8-9H,3-7H2,1-2H3,(H,13,16)(H,14,19)(H,17,18)/t8-,9?/m1/s1.
What are the key properties of (2R)-2-[(2-ethyl-3-oxopiperazine-1-carbonyl)amino]pentanoic acid?
(2R)-2-[(2-ethyl-3-oxopiperazine-1-carbonyl)amino]pentanoic acid has a molecular weight of 271.32 g/mol, XLogP of 0.16, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-ethyl-3-oxopiperazine-1-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 107566992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).