4-amino-5-[(2-methyloxan-4-yl)amino]-5-oxopentanoic acid

C11H20N2O4 — CID 114107781

IUPAC4-amino-5-[(2-methyloxan-4-yl)amino]-5-oxopentanoic acid
SMILESCC1CC(NC(=O)C(N)CCC(=O)O)CCO1
InChIInChI=1S/C11H20N2O4/c1-7-6-8(4-5-17-7)13-11(16)9(12)2-3-10(14)15/h7-9H,2-6,12H2,1H3,(H,13,16)(H,14,15)
InChIKeyQABXVFBXZRPAOC-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.14
Rot. Bonds5

About 4-amino-5-[(2-methyloxan-4-yl)amino]-5-oxopentanoic acid

4-amino-5-[(2-methyloxan-4-yl)amino]-5-oxopentanoic acid (PubChem CID 114107781) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-amino-5-[(2-methyloxan-4-yl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name4-amino-5-[(2-methyloxan-4-yl)amino]-5-oxopentanoic acid
PubChem CID114107781
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name4-amino-5-[(2-methyloxan-4-yl)amino]-5-oxopentanoic acid
SMILESCC1CC(NC(=O)C(N)CCC(=O)O)CCO1
InChIInChI=1S/C11H20N2O4/c1-7-6-8(4-5-17-7)13-11(16)9(12)2-3-10(14)15/h7-9H,2-6,12H2,1H3,(H,13,16)(H,14,15)
InChIKeyQABXVFBXZRPAOC-UHFFFAOYSA-N
XLogP-0.14
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-5-(oxan-4-ylamino)-5-oxopentanoic acid
CID 64896395
4-amino-5-[(2,2-dimethyloxan-4-yl)amino]-5-oxopentanoic acid
CID 83032758
ethyl N-(2-methyloxan-4-yl)carbamate
CID 103889471
3-amino-N-(2-methyloxan-4-yl)butanamide;hydrochloride
CID 120873943
4-amino-5-[(4-ethylcyclohexyl)amino]-5-oxopentanoic acid
CID 64888758
4-amino-5-[(1-methylpyrrolidin-3-yl)amino]-5-oxopentanoic acid
CID 64888566
4-amino-5-[(2-methylcyclohexyl)amino]-5-oxopentanoic acid
CID 64895983
1-(2-methyloxan-4-yl)-3-propylurea
CID 103887319
(2S)-3-methyl-2-[(2-methyloxan-4-yl)carbamoylamino]butanoic acid
CID 113364577
2,2,2-trifluoroethyl N-(2-methyloxan-4-yl)carbamate
CID 103887484
4-amino-5-[[3-(cyclopropylamino)-3-oxopropyl]amino]-5-oxopentanoic acid
CID 79400919
4-oxo-4-[(2-propan-2-yloxan-4-yl)amino]butanoic acid
CID 120551271

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[(2-methyloxan-4-yl)amino]-5-oxopentanoic acid?
The IUPAC name of 4-amino-5-[(2-methyloxan-4-yl)amino]-5-oxopentanoic acid (CID 114107781) is 4-amino-5-[(2-methyloxan-4-yl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 4-amino-5-[(2-methyloxan-4-yl)amino]-5-oxopentanoic acid?
The canonical SMILES for 4-amino-5-[(2-methyloxan-4-yl)amino]-5-oxopentanoic acid is CC1CC(NC(=O)C(N)CCC(=O)O)CCO1.
What is the InChIKey of 4-amino-5-[(2-methyloxan-4-yl)amino]-5-oxopentanoic acid?
The InChIKey is QABXVFBXZRPAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-7-6-8(4-5-17-7)13-11(16)9(12)2-3-10(14)15/h7-9H,2-6,12H2,1H3,(H,13,16)(H,14,15).
What are the key properties of 4-amino-5-[(2-methyloxan-4-yl)amino]-5-oxopentanoic acid?
4-amino-5-[(2-methyloxan-4-yl)amino]-5-oxopentanoic acid has a molecular weight of 244.29 g/mol, XLogP of -0.14, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[(2-methyloxan-4-yl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 114107781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).