(2S)-2-amino-6-(2,4-dioxo-1,3-diazinan-1-yl)hexanoic acid

C10H17N3O4 — CID 101112605

IUPAC(2S)-2-amino-6-(2,4-dioxo-1,3-diazinan-1-yl)hexanoic acid
SMILESN[C@@H](CCCCN1CCC(=O)NC1=O)C(=O)O
InChIInChI=1S/C10H17N3O4/c11-7(9(15)16)3-1-2-5-13-6-4-8(14)12-10(13)17/h7H,1-6,11H2,(H,15,16)(H,12,14,17)/t7-/m0/s1
InChIKeyDSJURQOHSWRCSF-ZETCQYMHSA-N
MW243.26 g/mol
LogP-0.49
Rot. Bonds6

About (2S)-2-amino-6-(2,4-dioxo-1,3-diazinan-1-yl)hexanoic acid

(2S)-2-amino-6-(2,4-dioxo-1,3-diazinan-1-yl)hexanoic acid (PubChem CID 101112605) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is (2S)-2-amino-6-(2,4-dioxo-1,3-diazinan-1-yl)hexanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-6-(2,4-dioxo-1,3-diazinan-1-yl)hexanoic acid
PubChem CID101112605
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name(2S)-2-amino-6-(2,4-dioxo-1,3-diazinan-1-yl)hexanoic acid
SMILESN[C@@H](CCCCN1CCC(=O)NC1=O)C(=O)O
InChIInChI=1S/C10H17N3O4/c11-7(9(15)16)3-1-2-5-13-6-4-8(14)12-10(13)17/h7H,1-6,11H2,(H,15,16)(H,12,14,17)/t7-/m0/s1
InChIKeyDSJURQOHSWRCSF-ZETCQYMHSA-N
XLogP-0.49
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(7-methyloctyl)-1,3-diazinane-2,4-dione
CID 114004462
(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159
(2R,8R)-2,8-diaminononanedioic acid
CID 6994849
(2R)-2-amino-6-(2,5-dioxopyrrol-1-yl)hexanoic acid
CID 10513406
(2S)-2-aminohexanoic acid;imidazolidine-2,4-dione
CID 70039490
(2S)-2,6-diaminohexanoic acid;pyrazolidin-3-one
CID 70503215
2,6-diaminoheptanedioic acid
CID 865
azepan-2-one;2,6-diaminohexanoic acid
CID 22134500
1-[5-[2-(1-phenylethyl)hydrazinyl]pentyl]-1,3-diazinane-2,4-dione
CID 142360603
cyclohexene-1,2-dicarboxylic acid;2,6-diaminohexanoic acid
CID 135385046
bis((2S)-2,6-diaminohexanoic acid);piperazine-2,3-dione
CID 158264898
2-amino-4-(5-oxo-1,2-oxazolidin-2-yl)butanoic acid
CID 57350456

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-6-(2,4-dioxo-1,3-diazinan-1-yl)hexanoic acid?
The IUPAC name of (2S)-2-amino-6-(2,4-dioxo-1,3-diazinan-1-yl)hexanoic acid (CID 101112605) is (2S)-2-amino-6-(2,4-dioxo-1,3-diazinan-1-yl)hexanoic acid.
What is the SMILES notation for (2S)-2-amino-6-(2,4-dioxo-1,3-diazinan-1-yl)hexanoic acid?
The canonical SMILES for (2S)-2-amino-6-(2,4-dioxo-1,3-diazinan-1-yl)hexanoic acid is N[C@@H](CCCCN1CCC(=O)NC1=O)C(=O)O.
What is the InChIKey of (2S)-2-amino-6-(2,4-dioxo-1,3-diazinan-1-yl)hexanoic acid?
The InChIKey is DSJURQOHSWRCSF-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H17N3O4/c11-7(9(15)16)3-1-2-5-13-6-4-8(14)12-10(13)17/h7H,1-6,11H2,(H,15,16)(H,12,14,17)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-6-(2,4-dioxo-1,3-diazinan-1-yl)hexanoic acid?
(2S)-2-amino-6-(2,4-dioxo-1,3-diazinan-1-yl)hexanoic acid has a molecular weight of 243.26 g/mol, XLogP of -0.49, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-6-(2,4-dioxo-1,3-diazinan-1-yl)hexanoic acid is sourced from PubChem (CID 101112605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).