[1-[(2,3-dioxo-azacycloundec-4-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamic acid

C16H27N3O5 — CID 130408101

IUPAC[1-[(2,3-dioxo-azacycloundec-4-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamic acid
SMILESCC(C)C(NC(=O)O)C(=O)NC1CCCCCCCNC(=O)C1=O
InChIInChI=1S/C16H27N3O5/c1-10(2)12(19-16(23)24)14(21)18-11-8-6-4-3-5-7-9-17-15(22)13(11)20/h10-12,19H,3-9H2,1-2H3,(H,17,22)(H,18,21)(H,23,24)
InChIKeySLDHLHYWAFBODN-UHFFFAOYSA-N
MW341.41 g/mol
LogP0.80
Rot. Bonds4

About [1-[(2,3-dioxo-azacycloundec-4-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamic acid

[1-[(2,3-dioxo-azacycloundec-4-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamic acid (PubChem CID 130408101) has the molecular formula C16H27N3O5 and a molecular weight of 341.41 g/mol. Its IUPAC name is [1-[(2,3-dioxo-azacycloundec-4-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-[(2,3-dioxo-azacycloundec-4-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamic acid
PubChem CID130408101
Molecular FormulaC16H27N3O5
Molecular Weight341.41 g/mol
Exact Mass341.20
IUPAC Name[1-[(2,3-dioxo-azacycloundec-4-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamic acid
SMILESCC(C)C(NC(=O)O)C(=O)NC1CCCCCCCNC(=O)C1=O
InChIInChI=1S/C16H27N3O5/c1-10(2)12(19-16(23)24)14(21)18-11-8-6-4-3-5-7-9-17-15(22)13(11)20/h10-12,19H,3-9H2,1-2H3,(H,17,22)(H,18,21)(H,23,24)
InChIKeySLDHLHYWAFBODN-UHFFFAOYSA-N
XLogP0.80
TPSA124.60 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 50.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[(2S)-1-[(2,3-dioxoazepan-4-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 130420335
2,2-dimethylpropyl N-[1-[(7,8-dioxo-1-oxa-6-azacyclododec-9-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 138730799
N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[(2-pyridin-4-ylacetyl)amino]butanamide
CID 138730757
benzyl N-[1-[(4,5-dioxo-1-oxa-6-azacyclododec-3-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 138731228
N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[[2-oxo-3-(1H-pyrrol-3-yl)propanoyl]amino]butanamide
CID 138730316
S-benzyl 2-[[1-[(2,3-dioxopiperidin-4-yl)amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethanethioate
CID 138730780
benzyl N-[3-methyl-1-[(1-methyl-2,3-dioxoazepan-4-yl)amino]-1-oxobutan-2-yl]carbamate;N-[(4S)-2,3-dioxoazecan-4-yl]-2-phenylbenzamide
CID 145367321
benzyl N-[1-[(2,3-dioxoazocan-4-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 138731446
2-(1-benzofuran-3-ylmethylcarbamoylamino)-N-(2,3-dioxopiperidin-4-yl)-3-methylbutanamide
CID 138730517
N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[3-(1H-pyrrol-2-yl)propanoylamino]butanamide
CID 138731157
N-[1-[(2,3-dioxopiperidin-4-yl)amino]-3-methyl-1-oxobutan-2-yl]-1-benzothiophene-3-carboxamide
CID 138731723
N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-(3-thiophen-2-ylpropanoylamino)butanamide
CID 138731150

Frequently Asked Questions

What is the IUPAC name of [1-[(2,3-dioxo-azacycloundec-4-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamic acid?
The IUPAC name of [1-[(2,3-dioxo-azacycloundec-4-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamic acid (CID 130408101) is [1-[(2,3-dioxo-azacycloundec-4-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamic acid.
What is the SMILES notation for [1-[(2,3-dioxo-azacycloundec-4-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamic acid?
The canonical SMILES for [1-[(2,3-dioxo-azacycloundec-4-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamic acid is CC(C)C(NC(=O)O)C(=O)NC1CCCCCCCNC(=O)C1=O.
What is the InChIKey of [1-[(2,3-dioxo-azacycloundec-4-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamic acid?
The InChIKey is SLDHLHYWAFBODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O5/c1-10(2)12(19-16(23)24)14(21)18-11-8-6-4-3-5-7-9-17-15(22)13(11)20/h10-12,19H,3-9H2,1-2H3,(H,17,22)(H,18,21)(H,23,24).
What are the key properties of [1-[(2,3-dioxo-azacycloundec-4-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamic acid?
[1-[(2,3-dioxo-azacycloundec-4-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamic acid has a molecular weight of 341.41 g/mol, XLogP of 0.80, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,3-dioxo-azacycloundec-4-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamic acid is sourced from PubChem (CID 130408101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).