(2S)-2-[[(2R)-2-hydroxypropanoyl]amino]-5-[[(2S)-2-hydroxypropanoyl]amino]pentanoic acid

C11H20N2O6 — CID 124797786

IUPAC(2S)-2-[[(2R)-2-hydroxypropanoyl]amino]-5-[[(2S)-2-hydroxypropanoyl]amino]pentanoic acid
SMILESC[C@H](O)C(=O)NCCC[C@H](NC(=O)[C@@H](C)O)C(=O)O
InChIInChI=1S/C11H20N2O6/c1-6(14)9(16)12-5-3-4-8(11(18)19)13-10(17)7(2)15/h6-8,14-15H,3-5H2,1-2H3,(H,12,16)(H,13,17)(H,18,19)/t6-,7+,8-/m0/s1
InChIKeyBNYPLFCTHFPFQZ-RNJXMRFFSA-N
MW276.29 g/mol
LogP-1.79
Rot. Bonds8

About (2S)-2-[[(2R)-2-hydroxypropanoyl]amino]-5-[[(2S)-2-hydroxypropanoyl]amino]pentanoic acid

(2S)-2-[[(2R)-2-hydroxypropanoyl]amino]-5-[[(2S)-2-hydroxypropanoyl]amino]pentanoic acid (PubChem CID 124797786) has the molecular formula C11H20N2O6 and a molecular weight of 276.29 g/mol. Its IUPAC name is (2S)-2-[[(2R)-2-hydroxypropanoyl]amino]-5-[[(2S)-2-hydroxypropanoyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-[[(2R)-2-hydroxypropanoyl]amino]-5-[[(2S)-2-hydroxypropanoyl]amino]pentanoic acid
PubChem CID124797786
Molecular FormulaC11H20N2O6
Molecular Weight276.29 g/mol
Exact Mass276.13
IUPAC Name(2S)-2-[[(2R)-2-hydroxypropanoyl]amino]-5-[[(2S)-2-hydroxypropanoyl]amino]pentanoic acid
SMILESC[C@H](O)C(=O)NCCC[C@H](NC(=O)[C@@H](C)O)C(=O)O
InChIInChI=1S/C11H20N2O6/c1-6(14)9(16)12-5-3-4-8(11(18)19)13-10(17)7(2)15/h6-8,14-15H,3-5H2,1-2H3,(H,12,16)(H,13,17)(H,18,19)/t6-,7+,8-/m0/s1
InChIKeyBNYPLFCTHFPFQZ-RNJXMRFFSA-N
XLogP-1.79
TPSA135.96 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 5-1.79
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-6-[[(2S)-2-hydroxypropanoyl]amino]-2-(methylamino)hexanoic acid
CID 169025304
(2S)-2-[[(2R)-2-hydroxypropanoyl]amino]pentanedioic acid
CID 170835683
(2S)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]-5-(carbamoylamino)pentanoic acid
CID 175845382
2,5-diacetamidopentanoic acid
CID 10398396
4-ethylsulfanyl-2-(2-hydroxypropanoylamino)butanoic acid
CID 87754677
(2S)-6-acetamido-2-[[(2S)-2-acetamidopropanoyl]amino]hexanoic acid
CID 121225479
(2S)-2-(cyclopropanecarbonylamino)-5-(2-methylpropanoylamino)pentanoic acid
CID 54274989
(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylpentanoyl]amino]-5-(carbamoylamino)pentanoic acid
CID 87281357
(2S)-6-amino-2-[[(2S)-6-amino-2-methylhexanoyl]amino]hexanoic acid
CID 118056357
2-(2-methylbutanoylamino)heptanoic acid
CID 115910245
2-methyl-5-(propan-2-ylcarbamoylamino)pentanoic acid
CID 104682853
(2S)-5-(carbamoylamino)-2-(propanoylamino)pentanoic acid
CID 87631633

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2R)-2-hydroxypropanoyl]amino]-5-[[(2S)-2-hydroxypropanoyl]amino]pentanoic acid?
The IUPAC name of (2S)-2-[[(2R)-2-hydroxypropanoyl]amino]-5-[[(2S)-2-hydroxypropanoyl]amino]pentanoic acid (CID 124797786) is (2S)-2-[[(2R)-2-hydroxypropanoyl]amino]-5-[[(2S)-2-hydroxypropanoyl]amino]pentanoic acid.
What is the SMILES notation for (2S)-2-[[(2R)-2-hydroxypropanoyl]amino]-5-[[(2S)-2-hydroxypropanoyl]amino]pentanoic acid?
The canonical SMILES for (2S)-2-[[(2R)-2-hydroxypropanoyl]amino]-5-[[(2S)-2-hydroxypropanoyl]amino]pentanoic acid is C[C@H](O)C(=O)NCCC[C@H](NC(=O)[C@@H](C)O)C(=O)O.
What is the InChIKey of (2S)-2-[[(2R)-2-hydroxypropanoyl]amino]-5-[[(2S)-2-hydroxypropanoyl]amino]pentanoic acid?
The InChIKey is BNYPLFCTHFPFQZ-RNJXMRFFSA-N. The full InChI is InChI=1S/C11H20N2O6/c1-6(14)9(16)12-5-3-4-8(11(18)19)13-10(17)7(2)15/h6-8,14-15H,3-5H2,1-2H3,(H,12,16)(H,13,17)(H,18,19)/t6-,7+,8-/m0/s1.
What are the key properties of (2S)-2-[[(2R)-2-hydroxypropanoyl]amino]-5-[[(2S)-2-hydroxypropanoyl]amino]pentanoic acid?
(2S)-2-[[(2R)-2-hydroxypropanoyl]amino]-5-[[(2S)-2-hydroxypropanoyl]amino]pentanoic acid has a molecular weight of 276.29 g/mol, XLogP of -1.79, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2R)-2-hydroxypropanoyl]amino]-5-[[(2S)-2-hydroxypropanoyl]amino]pentanoic acid is sourced from PubChem (CID 124797786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).