4-amino-5-(oxan-4-ylamino)-5-oxopentanoic acid

C10H18N2O4 — CID 64896395

IUPAC4-amino-5-(oxan-4-ylamino)-5-oxopentanoic acid
SMILESNC(CCC(=O)O)C(=O)NC1CCOCC1
InChIInChI=1S/C10H18N2O4/c11-8(1-2-9(13)14)10(15)12-7-3-5-16-6-4-7/h7-8H,1-6,11H2,(H,12,15)(H,13,14)
InChIKeyCSUJXNHIKREBNM-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.53
Rot. Bonds5

About 4-amino-5-(oxan-4-ylamino)-5-oxopentanoic acid

4-amino-5-(oxan-4-ylamino)-5-oxopentanoic acid (PubChem CID 64896395) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 4-amino-5-(oxan-4-ylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name4-amino-5-(oxan-4-ylamino)-5-oxopentanoic acid
PubChem CID64896395
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name4-amino-5-(oxan-4-ylamino)-5-oxopentanoic acid
SMILESNC(CCC(=O)O)C(=O)NC1CCOCC1
InChIInChI=1S/C10H18N2O4/c11-8(1-2-9(13)14)10(15)12-7-3-5-16-6-4-7/h7-8H,1-6,11H2,(H,12,15)(H,13,14)
InChIKeyCSUJXNHIKREBNM-UHFFFAOYSA-N
XLogP-0.53
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-5-[(2-methyloxan-4-yl)amino]-5-oxopentanoic acid
CID 114107781
4-amino-5-[(2,2-dimethyloxan-4-yl)amino]-5-oxopentanoic acid
CID 83032758
4-amino-5-[(4-ethylcyclohexyl)amino]-5-oxopentanoic acid
CID 64888758
2-(oxan-4-ylcarbamoylamino)pentanedioic acid
CID 61202775
2-amino-4-methyl-N-(oxan-4-yl)pentanamide
CID 43610149
4-amino-5-[[3-(cyclopropylamino)-3-oxopropyl]amino]-5-oxopentanoic acid
CID 79400919
4-amino-5-[(1-methylpyrrolidin-3-yl)amino]-5-oxopentanoic acid
CID 64888566
(2S)-2-amino-3-(oxan-4-ylcarbamoylamino)propanoic acid
CID 67154203
4-amino-5-(morpholin-4-ylamino)-5-oxopentanoic acid
CID 83016952
5-(oxan-4-ylcarbamoylamino)hexanoic acid
CID 82844829
(2S)-2-amino-4-(oxan-4-ylamino)-4-oxobutanoic acid
CID 70945523
4-amino-5-[(2-methylcyclohexyl)amino]-5-oxopentanoic acid
CID 64895983

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(oxan-4-ylamino)-5-oxopentanoic acid?
The IUPAC name of 4-amino-5-(oxan-4-ylamino)-5-oxopentanoic acid (CID 64896395) is 4-amino-5-(oxan-4-ylamino)-5-oxopentanoic acid.
What is the SMILES notation for 4-amino-5-(oxan-4-ylamino)-5-oxopentanoic acid?
The canonical SMILES for 4-amino-5-(oxan-4-ylamino)-5-oxopentanoic acid is NC(CCC(=O)O)C(=O)NC1CCOCC1.
What is the InChIKey of 4-amino-5-(oxan-4-ylamino)-5-oxopentanoic acid?
The InChIKey is CSUJXNHIKREBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c11-8(1-2-9(13)14)10(15)12-7-3-5-16-6-4-7/h7-8H,1-6,11H2,(H,12,15)(H,13,14).
What are the key properties of 4-amino-5-(oxan-4-ylamino)-5-oxopentanoic acid?
4-amino-5-(oxan-4-ylamino)-5-oxopentanoic acid has a molecular weight of 230.26 g/mol, XLogP of -0.53, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(oxan-4-ylamino)-5-oxopentanoic acid is sourced from PubChem (CID 64896395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).