(2S)-2-amino-5-[(4-formyloxy-3-methylbutyl)amino]-5-oxopentanoic acid

C11H20N2O5 — CID 139475162

IUPAC(2S)-2-amino-5-[(4-formyloxy-3-methylbutyl)amino]-5-oxopentanoic acid
SMILESCC(CCNC(=O)CC[C@H](N)C(=O)O)COC=O
InChIInChI=1S/C11H20N2O5/c1-8(6-18-7-14)4-5-13-10(15)3-2-9(12)11(16)17/h7-9H,2-6,12H2,1H3,(H,13,15)(H,16,17)/t8?,9-/m0/s1
InChIKeyXZCNJABDSGEYKQ-GKAPJAKFSA-N
MW260.29 g/mol
LogP-0.51
Rot. Bonds10

About (2S)-2-amino-5-[(4-formyloxy-3-methylbutyl)amino]-5-oxopentanoic acid

(2S)-2-amino-5-[(4-formyloxy-3-methylbutyl)amino]-5-oxopentanoic acid (PubChem CID 139475162) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is (2S)-2-amino-5-[(4-formyloxy-3-methylbutyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-[(4-formyloxy-3-methylbutyl)amino]-5-oxopentanoic acid
PubChem CID139475162
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name(2S)-2-amino-5-[(4-formyloxy-3-methylbutyl)amino]-5-oxopentanoic acid
SMILESCC(CCNC(=O)CC[C@H](N)C(=O)O)COC=O
InChIInChI=1S/C11H20N2O5/c1-8(6-18-7-14)4-5-13-10(15)3-2-9(12)11(16)17/h7-9H,2-6,12H2,1H3,(H,13,15)(H,16,17)/t8?,9-/m0/s1
InChIKeyXZCNJABDSGEYKQ-GKAPJAKFSA-N
XLogP-0.51
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-4-[3-(methylamino)propanoylamino]butanoic acid
CID 87358924
2-amino-5-(ethylamino)-5-oxopentanoic acid;hydrochloride
CID 73408744
2-amino-5-[2-[3-[2-[(4-amino-4-carboxybutanoyl)amino]ethoxy]-2,2-dimethyl-3-oxopropanoyl]oxyethylamino]-5-oxopentanoic acid
CID 58463544
magnesium bis(3-[[(4S)-4-amino-4-carboxybutanoyl]amino]propanoate)
CID 139643109
2-amino-5-[[8-[(8-amino-8-oxooctyl)amino]-8-oxooctyl]amino]-5-oxopentanoic acid;sulfane
CID 158644391
(2S)-2-amino-5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]-5-oxopentanoic acid
CID 170607216
(2S)-2-amino-5-[[(2R)-2-carboxypropyl]amino]-5-oxopentanoic acid
CID 163083327
(2S)-2-amino-5-[3-(4-aminobutylamino)propylamino]-5-oxopentanoic acid
CID 54491991
2-amino-5-[[3-[carboxy(methyl)amino]-3-oxopropyl]amino]-5-oxopentanoic acid
CID 173061748
(2S)-2-amino-5-formamido-5-oxopentanoic acid
CID 54145415
2-amino-5-oxo-5-(1-oxopropan-2-ylamino)pentanoic acid
CID 22152590
(2R)-2-amino-5-[[(2S)-1-(formyloxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid
CID 162104309

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-[(4-formyloxy-3-methylbutyl)amino]-5-oxopentanoic acid?
The IUPAC name of (2S)-2-amino-5-[(4-formyloxy-3-methylbutyl)amino]-5-oxopentanoic acid (CID 139475162) is (2S)-2-amino-5-[(4-formyloxy-3-methylbutyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-[(4-formyloxy-3-methylbutyl)amino]-5-oxopentanoic acid?
The canonical SMILES for (2S)-2-amino-5-[(4-formyloxy-3-methylbutyl)amino]-5-oxopentanoic acid is CC(CCNC(=O)CC[C@H](N)C(=O)O)COC=O.
What is the InChIKey of (2S)-2-amino-5-[(4-formyloxy-3-methylbutyl)amino]-5-oxopentanoic acid?
The InChIKey is XZCNJABDSGEYKQ-GKAPJAKFSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-8(6-18-7-14)4-5-13-10(15)3-2-9(12)11(16)17/h7-9H,2-6,12H2,1H3,(H,13,15)(H,16,17)/t8?,9-/m0/s1.
What are the key properties of (2S)-2-amino-5-[(4-formyloxy-3-methylbutyl)amino]-5-oxopentanoic acid?
(2S)-2-amino-5-[(4-formyloxy-3-methylbutyl)amino]-5-oxopentanoic acid has a molecular weight of 260.29 g/mol, XLogP of -0.51, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-[(4-formyloxy-3-methylbutyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 139475162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).