(2S)-5-amino-2-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]-5-oxopentanoic acid

C12H20N4O5 — CID 63606784

IUPAC(2S)-5-amino-2-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]-5-oxopentanoic acid
SMILESCC1(C)C(=O)NCCN1C(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C12H20N4O5/c1-12(2)10(20)14-5-6-16(12)11(21)15-7(9(18)19)3-4-8(13)17/h7H,3-6H2,1-2H3,(H2,13,17)(H,14,20)(H,15,21)(H,18,19)/t7-/m0/s1
InChIKeyIZWXLIRYCCPWAP-ZETCQYMHSA-N
MW300.32 g/mol
LogP-1.37
Rot. Bonds5

About (2S)-5-amino-2-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]-5-oxopentanoic acid

(2S)-5-amino-2-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]-5-oxopentanoic acid (PubChem CID 63606784) has the molecular formula C12H20N4O5 and a molecular weight of 300.32 g/mol. Its IUPAC name is (2S)-5-amino-2-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-2-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]-5-oxopentanoic acid
PubChem CID63606784
Molecular FormulaC12H20N4O5
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name(2S)-5-amino-2-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]-5-oxopentanoic acid
SMILESCC1(C)C(=O)NCCN1C(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C12H20N4O5/c1-12(2)10(20)14-5-6-16(12)11(21)15-7(9(18)19)3-4-8(13)17/h7H,3-6H2,1-2H3,(H2,13,17)(H,14,20)(H,15,21)(H,18,19)/t7-/m0/s1
InChIKeyIZWXLIRYCCPWAP-ZETCQYMHSA-N
XLogP-1.37
TPSA141.83 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 5-1.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]hexanoic acid
CID 63606952
5-amino-5-oxo-2-[(3-oxopiperazine-1-carbonyl)amino]pentanoic acid
CID 61181984
(2R)-5-amino-2-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]-5-oxopentanoic acid
CID 107830881
5-amino-2-[(4,4-dimethylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 62931188
N-tert-butyl-2,2-dimethyl-3-oxopiperazine-1-carboxamide
CID 53017587
2,2-dimethyl-3-oxo-N-phenylpiperazine-1-carboxamide
CID 53017589
5-amino-2-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]-5-oxopentanoic acid
CID 66076222
(2R)-5-amino-2-[(1-methylcyclopentyl)methylcarbamoylamino]-5-oxopentanoic acid
CID 107830897
4-[(4S)-4-amino-4-phenylbutanoyl]-3,3-dimethylpiperazin-2-one
CID 124555736
4-(3-bromoprop-2-ynoyl)-3,3-dimethylpiperazin-2-one
CID 130708613
5-amino-5-oxo-2-(prop-1-en-2-ylamino)pentanoic acid
CID 142578734
5-amino-2-[(4-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 61188573

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]-5-oxopentanoic acid?
The IUPAC name of (2S)-5-amino-2-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]-5-oxopentanoic acid (CID 63606784) is (2S)-5-amino-2-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for (2S)-5-amino-2-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]-5-oxopentanoic acid?
The canonical SMILES for (2S)-5-amino-2-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]-5-oxopentanoic acid is CC1(C)C(=O)NCCN1C(=O)N[C@@H](CCC(N)=O)C(=O)O.
What is the InChIKey of (2S)-5-amino-2-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]-5-oxopentanoic acid?
The InChIKey is IZWXLIRYCCPWAP-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H20N4O5/c1-12(2)10(20)14-5-6-16(12)11(21)15-7(9(18)19)3-4-8(13)17/h7H,3-6H2,1-2H3,(H2,13,17)(H,14,20)(H,15,21)(H,18,19)/t7-/m0/s1.
What are the key properties of (2S)-5-amino-2-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]-5-oxopentanoic acid?
(2S)-5-amino-2-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]-5-oxopentanoic acid has a molecular weight of 300.32 g/mol, XLogP of -1.37, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-2-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 63606784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).