5-amino-2-[(2,2-dimethyloxan-4-yl)carbamoylamino]-5-oxopentanoic acid

C13H23N3O5 — CID 83034512

IUPAC5-amino-2-[(2,2-dimethyloxan-4-yl)carbamoylamino]-5-oxopentanoic acid
SMILESCC1(C)CC(NC(=O)NC(CCC(N)=O)C(=O)O)CCO1
InChIInChI=1S/C13H23N3O5/c1-13(2)7-8(5-6-21-13)15-12(20)16-9(11(18)19)3-4-10(14)17/h8-9H,3-7H2,1-2H3,(H2,14,17)(H,18,19)(H2,15,16,20)
InChIKeyIEEGEZSIVZZRRO-UHFFFAOYSA-N
MW301.34 g/mol
LogP-0.04
Rot. Bonds6

About 5-amino-2-[(2,2-dimethyloxan-4-yl)carbamoylamino]-5-oxopentanoic acid

5-amino-2-[(2,2-dimethyloxan-4-yl)carbamoylamino]-5-oxopentanoic acid (PubChem CID 83034512) has the molecular formula C13H23N3O5 and a molecular weight of 301.34 g/mol. Its IUPAC name is 5-amino-2-[(2,2-dimethyloxan-4-yl)carbamoylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-2-[(2,2-dimethyloxan-4-yl)carbamoylamino]-5-oxopentanoic acid
PubChem CID83034512
Molecular FormulaC13H23N3O5
Molecular Weight301.34 g/mol
Exact Mass301.16
IUPAC Name5-amino-2-[(2,2-dimethyloxan-4-yl)carbamoylamino]-5-oxopentanoic acid
SMILESCC1(C)CC(NC(=O)NC(CCC(N)=O)C(=O)O)CCO1
InChIInChI=1S/C13H23N3O5/c1-13(2)7-8(5-6-21-13)15-12(20)16-9(11(18)19)3-4-10(14)17/h8-9H,3-7H2,1-2H3,(H2,14,17)(H,18,19)(H2,15,16,20)
InChIKeyIEEGEZSIVZZRRO-UHFFFAOYSA-N
XLogP-0.04
TPSA130.75 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 5-0.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(2,2-dimethyloxan-4-yl)carbamoylamino]-4-hydroxybutanoic acid
CID 114005796
(2S)-2-[(2,2-dimethyloxan-4-yl)carbamoylamino]hexanoic acid
CID 107146447
(2S)-2-[(2,2-dimethyloxan-4-yl)carbamoylamino]-3-hydroxypropanoic acid
CID 83028517
2-[(2,2-dimethyloxan-4-yl)carbamoylamino]-4-methylpentanoic acid
CID 83028431
(2R)-5-amino-2-(cyclooctylcarbamoylamino)-5-oxopentanoic acid
CID 107830466
4-[(2,2-dimethyloxan-4-yl)carbamoylamino]-2-methylbutanoic acid
CID 83029194
(2R)-5-amino-2-[(2-methyloxolan-3-yl)carbamoylamino]-5-oxopentanoic acid
CID 114006113
(2S)-5-amino-2-[(3-methylcyclopentyl)carbamoylamino]-5-oxopentanoic acid
CID 104937664
4-amino-5-[(2,2-dimethyloxan-4-yl)amino]-5-oxopentanoic acid
CID 83032758
5-amino-2-[(3-methylcyclohexyl)carbamoylamino]-5-oxopentanoic acid
CID 61199710
2-amino-N-(2,2-dimethyloxan-4-yl)butanediamide
CID 83033094
2-[(2,2-diethyloxan-4-yl)carbamoylamino]butanoic acid
CID 83028212

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(2,2-dimethyloxan-4-yl)carbamoylamino]-5-oxopentanoic acid?
The IUPAC name of 5-amino-2-[(2,2-dimethyloxan-4-yl)carbamoylamino]-5-oxopentanoic acid (CID 83034512) is 5-amino-2-[(2,2-dimethyloxan-4-yl)carbamoylamino]-5-oxopentanoic acid.
What is the SMILES notation for 5-amino-2-[(2,2-dimethyloxan-4-yl)carbamoylamino]-5-oxopentanoic acid?
The canonical SMILES for 5-amino-2-[(2,2-dimethyloxan-4-yl)carbamoylamino]-5-oxopentanoic acid is CC1(C)CC(NC(=O)NC(CCC(N)=O)C(=O)O)CCO1.
What is the InChIKey of 5-amino-2-[(2,2-dimethyloxan-4-yl)carbamoylamino]-5-oxopentanoic acid?
The InChIKey is IEEGEZSIVZZRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O5/c1-13(2)7-8(5-6-21-13)15-12(20)16-9(11(18)19)3-4-10(14)17/h8-9H,3-7H2,1-2H3,(H2,14,17)(H,18,19)(H2,15,16,20).
What are the key properties of 5-amino-2-[(2,2-dimethyloxan-4-yl)carbamoylamino]-5-oxopentanoic acid?
5-amino-2-[(2,2-dimethyloxan-4-yl)carbamoylamino]-5-oxopentanoic acid has a molecular weight of 301.34 g/mol, XLogP of -0.04, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(2,2-dimethyloxan-4-yl)carbamoylamino]-5-oxopentanoic acid is sourced from PubChem (CID 83034512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).