2-amino-5-[[(1S)-1-(oxan-4-yl)ethyl]amino]-5-oxopentanoic acid

C12H22N2O4 — CID 67368446

IUPAC2-amino-5-[[(1S)-1-(oxan-4-yl)ethyl]amino]-5-oxopentanoic acid
SMILESC[C@H](NC(=O)CCC(N)C(=O)O)C1CCOCC1
InChIInChI=1S/C12H22N2O4/c1-8(9-4-6-18-7-5-9)14-11(15)3-2-10(13)12(16)17/h8-10H,2-7,13H2,1H3,(H,14,15)(H,16,17)/t8-,10?/m0/s1
InChIKeyODTDFWBNZWEKNS-PEHGTWAWSA-N
MW258.32 g/mol
LogP0.11
Rot. Bonds6

About 2-amino-5-[[(1S)-1-(oxan-4-yl)ethyl]amino]-5-oxopentanoic acid

2-amino-5-[[(1S)-1-(oxan-4-yl)ethyl]amino]-5-oxopentanoic acid (PubChem CID 67368446) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-amino-5-[[(1S)-1-(oxan-4-yl)ethyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name2-amino-5-[[(1S)-1-(oxan-4-yl)ethyl]amino]-5-oxopentanoic acid
PubChem CID67368446
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name2-amino-5-[[(1S)-1-(oxan-4-yl)ethyl]amino]-5-oxopentanoic acid
SMILESC[C@H](NC(=O)CCC(N)C(=O)O)C1CCOCC1
InChIInChI=1S/C12H22N2O4/c1-8(9-4-6-18-7-5-9)14-11(15)3-2-10(13)12(16)17/h8-10H,2-7,13H2,1H3,(H,14,15)(H,16,17)/t8-,10?/m0/s1
InChIKeyODTDFWBNZWEKNS-PEHGTWAWSA-N
XLogP0.11
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[[(1S)-1-(oxan-4-yl)ethyl]amino]-5-oxopentanoic acid?
The IUPAC name of 2-amino-5-[[(1S)-1-(oxan-4-yl)ethyl]amino]-5-oxopentanoic acid (CID 67368446) is 2-amino-5-[[(1S)-1-(oxan-4-yl)ethyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 2-amino-5-[[(1S)-1-(oxan-4-yl)ethyl]amino]-5-oxopentanoic acid?
The canonical SMILES for 2-amino-5-[[(1S)-1-(oxan-4-yl)ethyl]amino]-5-oxopentanoic acid is C[C@H](NC(=O)CCC(N)C(=O)O)C1CCOCC1.
What is the InChIKey of 2-amino-5-[[(1S)-1-(oxan-4-yl)ethyl]amino]-5-oxopentanoic acid?
The InChIKey is ODTDFWBNZWEKNS-PEHGTWAWSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-8(9-4-6-18-7-5-9)14-11(15)3-2-10(13)12(16)17/h8-10H,2-7,13H2,1H3,(H,14,15)(H,16,17)/t8-,10?/m0/s1.
What are the key properties of 2-amino-5-[[(1S)-1-(oxan-4-yl)ethyl]amino]-5-oxopentanoic acid?
2-amino-5-[[(1S)-1-(oxan-4-yl)ethyl]amino]-5-oxopentanoic acid has a molecular weight of 258.32 g/mol, XLogP of 0.11, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[[(1S)-1-(oxan-4-yl)ethyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 67368446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).