N-[(2R,3S)-1-amino-3-hydroxy-1-oxobutan-2-yl]-4-ethyl-2,3-dioxopiperazine-1-carboxamide

C11H18N4O5 — CID 22850123

IUPACN-[(2R,3S)-1-amino-3-hydroxy-1-oxobutan-2-yl]-4-ethyl-2,3-dioxopiperazine-1-carboxamide
SMILESCCN1CCN(C(=O)N[C@@H](C(N)=O)[C@H](C)O)C(=O)C1=O
InChIInChI=1S/C11H18N4O5/c1-3-14-4-5-15(10(19)9(14)18)11(20)13-7(6(2)16)8(12)17/h6-7,16H,3-5H2,1-2H3,(H2,12,17)(H,13,20)/t6-,7+/m0/s1
InChIKeyMNWKEIYSCWNXNJ-NKWVEPMBSA-N
MW286.29 g/mol
LogP-2.38
Rot. Bonds4

About N-[(2R,3S)-1-amino-3-hydroxy-1-oxobutan-2-yl]-4-ethyl-2,3-dioxopiperazine-1-carboxamide

N-[(2R,3S)-1-amino-3-hydroxy-1-oxobutan-2-yl]-4-ethyl-2,3-dioxopiperazine-1-carboxamide (PubChem CID 22850123) has the molecular formula C11H18N4O5 and a molecular weight of 286.29 g/mol. Its IUPAC name is N-[(2R,3S)-1-amino-3-hydroxy-1-oxobutan-2-yl]-4-ethyl-2,3-dioxopiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(2R,3S)-1-amino-3-hydroxy-1-oxobutan-2-yl]-4-ethyl-2,3-dioxopiperazine-1-carboxamide
PubChem CID22850123
Molecular FormulaC11H18N4O5
Molecular Weight286.29 g/mol
Exact Mass286.13
IUPAC NameN-[(2R,3S)-1-amino-3-hydroxy-1-oxobutan-2-yl]-4-ethyl-2,3-dioxopiperazine-1-carboxamide
SMILESCCN1CCN(C(=O)N[C@@H](C(N)=O)[C@H](C)O)C(=O)C1=O
InChIInChI=1S/C11H18N4O5/c1-3-14-4-5-15(10(19)9(14)18)11(20)13-7(6(2)16)8(12)17/h6-7,16H,3-5H2,1-2H3,(H2,12,17)(H,13,20)/t6-,7+/m0/s1
InChIKeyMNWKEIYSCWNXNJ-NKWVEPMBSA-N
XLogP-2.38
TPSA133.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 5-2.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-1-amino-3-hydroxy-1-oxobutan-2-yl]-4-ethyl-2,3-dioxopiperazine-1-carboxamide?
The IUPAC name of N-[(2R,3S)-1-amino-3-hydroxy-1-oxobutan-2-yl]-4-ethyl-2,3-dioxopiperazine-1-carboxamide (CID 22850123) is N-[(2R,3S)-1-amino-3-hydroxy-1-oxobutan-2-yl]-4-ethyl-2,3-dioxopiperazine-1-carboxamide.
What is the SMILES notation for N-[(2R,3S)-1-amino-3-hydroxy-1-oxobutan-2-yl]-4-ethyl-2,3-dioxopiperazine-1-carboxamide?
The canonical SMILES for N-[(2R,3S)-1-amino-3-hydroxy-1-oxobutan-2-yl]-4-ethyl-2,3-dioxopiperazine-1-carboxamide is CCN1CCN(C(=O)N[C@@H](C(N)=O)[C@H](C)O)C(=O)C1=O.
What is the InChIKey of N-[(2R,3S)-1-amino-3-hydroxy-1-oxobutan-2-yl]-4-ethyl-2,3-dioxopiperazine-1-carboxamide?
The InChIKey is MNWKEIYSCWNXNJ-NKWVEPMBSA-N. The full InChI is InChI=1S/C11H18N4O5/c1-3-14-4-5-15(10(19)9(14)18)11(20)13-7(6(2)16)8(12)17/h6-7,16H,3-5H2,1-2H3,(H2,12,17)(H,13,20)/t6-,7+/m0/s1.
What are the key properties of N-[(2R,3S)-1-amino-3-hydroxy-1-oxobutan-2-yl]-4-ethyl-2,3-dioxopiperazine-1-carboxamide?
N-[(2R,3S)-1-amino-3-hydroxy-1-oxobutan-2-yl]-4-ethyl-2,3-dioxopiperazine-1-carboxamide has a molecular weight of 286.29 g/mol, XLogP of -2.38, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-1-amino-3-hydroxy-1-oxobutan-2-yl]-4-ethyl-2,3-dioxopiperazine-1-carboxamide is sourced from PubChem (CID 22850123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).