(2S)-2-amino-N-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-3-methylbutanamide

C13H24N4O3 — CID 82962479

IUPAC(2S)-2-amino-N-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-3-methylbutanamide
SMILESCCC1C(=O)NCCN1C(=O)CNC(=O)[C@@H](N)C(C)C
InChIInChI=1S/C13H24N4O3/c1-4-9-12(19)15-5-6-17(9)10(18)7-16-13(20)11(14)8(2)3/h8-9,11H,4-7,14H2,1-3H3,(H,15,19)(H,16,20)/t9?,11-/m0/s1
InChIKeyQMYOURNHSOWAHB-UMJHXOGRSA-N
MW284.36 g/mol
LogP-1.18
Rot. Bonds5

About (2S)-2-amino-N-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-3-methylbutanamide

(2S)-2-amino-N-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-3-methylbutanamide (PubChem CID 82962479) has the molecular formula C13H24N4O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-3-methylbutanamide
PubChem CID82962479
Molecular FormulaC13H24N4O3
Molecular Weight284.36 g/mol
Exact Mass284.18
IUPAC Name(2S)-2-amino-N-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-3-methylbutanamide
SMILESCCC1C(=O)NCCN1C(=O)CNC(=O)[C@@H](N)C(C)C
InChIInChI=1S/C13H24N4O3/c1-4-9-12(19)15-5-6-17(9)10(18)7-16-13(20)11(14)8(2)3/h8-9,11H,4-7,14H2,1-3H3,(H,15,19)(H,16,20)/t9?,11-/m0/s1
InChIKeyQMYOURNHSOWAHB-UMJHXOGRSA-N
XLogP-1.18
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 5-1.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-4-[2-(propan-2-ylamino)acetyl]piperazin-2-one
CID 63602812
4-[2-(butan-2-ylamino)acetyl]-3-ethylpiperazin-2-one
CID 63600887
3-ethyl-4-(3-methyl-2-propan-2-ylbutanoyl)piperazin-2-one
CID 114282285
4-(4-amino-3-methylbutanoyl)-3-ethylpiperazin-2-one
CID 81080644
3-ethyl-4-(3-methylpentanoyl)piperazin-2-one
CID 114875520
3-(2-ethyl-3-oxopiperazin-1-yl)-3-oxopropanethioamide
CID 63603860
N-(2-chloropropanoyl)-2-ethyl-3-oxopiperazine-1-carboxamide
CID 55215582
4-[3-(cyclopropylamino)propanoyl]-3-ethylpiperazin-2-one
CID 63600881
4-(2-bromopropanoyl)-3-ethylpiperazin-2-one
CID 107905248
4-(2-aminopentanoyl)-3-ethylpiperazin-2-one
CID 63602807
3-amino-4-(2-ethyl-3-oxopiperazin-1-yl)-4-oxobutanoic acid
CID 64895581
(2S)-2-amino-N-[2-(3,5-dioxopiperazin-1-yl)-2-oxoethyl]-3-methylbutanamide
CID 82962109

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-3-methylbutanamide (CID 82962479) is (2S)-2-amino-N-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-3-methylbutanamide is CCC1C(=O)NCCN1C(=O)CNC(=O)[C@@H](N)C(C)C.
What is the InChIKey of (2S)-2-amino-N-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-3-methylbutanamide?
The InChIKey is QMYOURNHSOWAHB-UMJHXOGRSA-N. The full InChI is InChI=1S/C13H24N4O3/c1-4-9-12(19)15-5-6-17(9)10(18)7-16-13(20)11(14)8(2)3/h8-9,11H,4-7,14H2,1-3H3,(H,15,19)(H,16,20)/t9?,11-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-3-methylbutanamide?
(2S)-2-amino-N-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-3-methylbutanamide has a molecular weight of 284.36 g/mol, XLogP of -1.18, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-3-methylbutanamide is sourced from PubChem (CID 82962479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).