2-(6-amino-3,7-dioxo-2-propyldiazepan-1-yl)acetic acid

C10H17N3O4 — CID 18463926

IUPAC2-(6-amino-3,7-dioxo-2-propyldiazepan-1-yl)acetic acid
SMILESCCCN1C(=O)CCC(N)C(=O)N1CC(=O)O
InChIInChI=1S/C10H17N3O4/c1-2-5-12-8(14)4-3-7(11)10(17)13(12)6-9(15)16/h7H,2-6,11H2,1H3,(H,15,16)
InChIKeyLVLHYFYOANQPIZ-UHFFFAOYSA-N
MW243.26 g/mol
LogP-0.83
Rot. Bonds4

About 2-(6-amino-3,7-dioxo-2-propyldiazepan-1-yl)acetic acid

2-(6-amino-3,7-dioxo-2-propyldiazepan-1-yl)acetic acid (PubChem CID 18463926) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is 2-(6-amino-3,7-dioxo-2-propyldiazepan-1-yl)acetic acid.

Molecular Properties

Compound Name2-(6-amino-3,7-dioxo-2-propyldiazepan-1-yl)acetic acid
PubChem CID18463926
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name2-(6-amino-3,7-dioxo-2-propyldiazepan-1-yl)acetic acid
SMILESCCCN1C(=O)CCC(N)C(=O)N1CC(=O)O
InChIInChI=1S/C10H17N3O4/c1-2-5-12-8(14)4-3-7(11)10(17)13(12)6-9(15)16/h7H,2-6,11H2,1H3,(H,15,16)
InChIKeyLVLHYFYOANQPIZ-UHFFFAOYSA-N
XLogP-0.83
TPSA103.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 146401292
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CID 45082281
2-[(3S,5aS)-3-amino-2-oxo-3,4,5,5a,6,7,8,9-octahydropyrido[1,2-b]diazepin-1-yl]acetic acid
CID 22873111
3-amino-1-(2-propoxyethyl)piperidine-2,6-dione
CID 106456413
2-[(3S)-6-amino-3-butyl-7-oxodiazepan-1-yl]acetic acid
CID 70262941
2-[(6S)-6-amino-2,2-dimethyl-7-oxoazepan-1-yl]acetic acid
CID 70124149
2-(3-amino-2-oxoazonan-1-yl)acetic acid
CID 23322748
5-hydroxy-1-pentylpyrrolidin-2-one
CID 14686205
2-[(2R)-2-acetyl-5-oxopyrrolidin-1-yl]acetic acid
CID 59945978
(3S)-3-amino-1-(2-methylpropyl)piperidine-2,6-dione
CID 39221101
butan-2-yl 2-[(3S)-3-amino-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetate;(2R,3R)-2,3-dihydroxybutanedioic acid
CID 118856017
2-[(3S,7R)-3-amino-7-(2-hydroxyethyl)-2-oxoazepan-1-yl]acetic acid
CID 22865153

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-3,7-dioxo-2-propyldiazepan-1-yl)acetic acid?
The IUPAC name of 2-(6-amino-3,7-dioxo-2-propyldiazepan-1-yl)acetic acid (CID 18463926) is 2-(6-amino-3,7-dioxo-2-propyldiazepan-1-yl)acetic acid.
What is the SMILES notation for 2-(6-amino-3,7-dioxo-2-propyldiazepan-1-yl)acetic acid?
The canonical SMILES for 2-(6-amino-3,7-dioxo-2-propyldiazepan-1-yl)acetic acid is CCCN1C(=O)CCC(N)C(=O)N1CC(=O)O.
What is the InChIKey of 2-(6-amino-3,7-dioxo-2-propyldiazepan-1-yl)acetic acid?
The InChIKey is LVLHYFYOANQPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4/c1-2-5-12-8(14)4-3-7(11)10(17)13(12)6-9(15)16/h7H,2-6,11H2,1H3,(H,15,16).
What are the key properties of 2-(6-amino-3,7-dioxo-2-propyldiazepan-1-yl)acetic acid?
2-(6-amino-3,7-dioxo-2-propyldiazepan-1-yl)acetic acid has a molecular weight of 243.26 g/mol, XLogP of -0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-3,7-dioxo-2-propyldiazepan-1-yl)acetic acid is sourced from PubChem (CID 18463926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).