2-hydroxypropanoyl (2S)-2,5-diamino-5-oxopentanoate

C8H14N2O5 — CID 87119141

IUPAC2-hydroxypropanoyl (2S)-2,5-diamino-5-oxopentanoate
SMILESCC(O)C(=O)OC(=O)[C@@H](N)CCC(N)=O
InChIInChI=1S/C8H14N2O5/c1-4(11)7(13)15-8(14)5(9)2-3-6(10)12/h4-5,11H,2-3,9H2,1H3,(H2,10,12)/t4?,5-/m0/s1
InChIKeyXDAIQIODUDUZGR-AKGZTFGVSA-N
MW218.21 g/mol
LogP-1.97
Rot. Bonds5

About 2-hydroxypropanoyl (2S)-2,5-diamino-5-oxopentanoate

2-hydroxypropanoyl (2S)-2,5-diamino-5-oxopentanoate (PubChem CID 87119141) has the molecular formula C8H14N2O5 and a molecular weight of 218.21 g/mol. Its IUPAC name is 2-hydroxypropanoyl (2S)-2,5-diamino-5-oxopentanoate.

Molecular Properties

Compound Name2-hydroxypropanoyl (2S)-2,5-diamino-5-oxopentanoate
PubChem CID87119141
Molecular FormulaC8H14N2O5
Molecular Weight218.21 g/mol
Exact Mass218.09
IUPAC Name2-hydroxypropanoyl (2S)-2,5-diamino-5-oxopentanoate
SMILESCC(O)C(=O)OC(=O)[C@@H](N)CCC(N)=O
InChIInChI=1S/C8H14N2O5/c1-4(11)7(13)15-8(14)5(9)2-3-6(10)12/h4-5,11H,2-3,9H2,1H3,(H2,10,12)/t4?,5-/m0/s1
InChIKeyXDAIQIODUDUZGR-AKGZTFGVSA-N
XLogP-1.97
TPSA132.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 5-1.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-hydroxypropanoyl (2R)-2-amino-3-hydroxypropanoate
CID 118649421
(2S)-2-amino-5-(2-hydroxypropanoyloxy)-5-oxopentanoic acid;chromium
CID 174924708
(2S)-2-amino-3-[(2S,3R)-2-amino-3-hydroxybutanoyl]oxypropanoic acid;[(2S)-2,4-diamino-4-oxobutanoyl] (2S)-2,5-diamino-5-oxopentanoate
CID 87756769
1-aminopropan-2-yl (2S)-2,5-diamino-5-oxopentanoate
CID 88686252
1-(diethylamino)ethyl 2,5-diamino-5-oxopentanoate
CID 139612107
(2S)-2,5-diamino-5-oxo(413C)pentanoic acid
CID 71309916
2,5-diamino-5-oxopentanoic acid
CID 738
2,5-bis(15N)(azanyl)-5-oxopentanoic acid
CID 87103617
2-trimethylsilylethyl 2,5-diamino-5-oxopentanoate
CID 174894859
sulfo (2S)-2,5-diamino-5-oxopentanoate
CID 174388300
calcium;alumane;hydride;2-hydroxypropanoyl 2-hydroxypropanoate
CID 173336900
2,5-diamino-5-oxopentanoic acid;dihydrate
CID 174966770

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropanoyl (2S)-2,5-diamino-5-oxopentanoate?
The IUPAC name of 2-hydroxypropanoyl (2S)-2,5-diamino-5-oxopentanoate (CID 87119141) is 2-hydroxypropanoyl (2S)-2,5-diamino-5-oxopentanoate.
What is the SMILES notation for 2-hydroxypropanoyl (2S)-2,5-diamino-5-oxopentanoate?
The canonical SMILES for 2-hydroxypropanoyl (2S)-2,5-diamino-5-oxopentanoate is CC(O)C(=O)OC(=O)[C@@H](N)CCC(N)=O.
What is the InChIKey of 2-hydroxypropanoyl (2S)-2,5-diamino-5-oxopentanoate?
The InChIKey is XDAIQIODUDUZGR-AKGZTFGVSA-N. The full InChI is InChI=1S/C8H14N2O5/c1-4(11)7(13)15-8(14)5(9)2-3-6(10)12/h4-5,11H,2-3,9H2,1H3,(H2,10,12)/t4?,5-/m0/s1.
What are the key properties of 2-hydroxypropanoyl (2S)-2,5-diamino-5-oxopentanoate?
2-hydroxypropanoyl (2S)-2,5-diamino-5-oxopentanoate has a molecular weight of 218.21 g/mol, XLogP of -1.97, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropanoyl (2S)-2,5-diamino-5-oxopentanoate is sourced from PubChem (CID 87119141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).