(2S,4R)-2-amino-4-[3-(ethylamino)-3-oxopropyl]pentanedioic acid

C10H18N2O5 — CID 44568312

IUPAC(2S,4R)-2-amino-4-[3-(ethylamino)-3-oxopropyl]pentanedioic acid
SMILESCCNC(=O)CC[C@H](C[C@H](N)C(=O)O)C(=O)O
InChIInChI=1S/C10H18N2O5/c1-2-12-8(13)4-3-6(9(14)15)5-7(11)10(16)17/h6-7H,2-5,11H2,1H3,(H,12,13)(H,14,15)(H,16,17)/t6-,7+/m1/s1
InChIKeyZSSSYSCTVWUGPI-RQJHMYQMSA-N
MW246.26 g/mol
LogP-0.59
Rot. Bonds8

About (2S,4R)-2-amino-4-[3-(ethylamino)-3-oxopropyl]pentanedioic acid

(2S,4R)-2-amino-4-[3-(ethylamino)-3-oxopropyl]pentanedioic acid (PubChem CID 44568312) has the molecular formula C10H18N2O5 and a molecular weight of 246.26 g/mol. Its IUPAC name is (2S,4R)-2-amino-4-[3-(ethylamino)-3-oxopropyl]pentanedioic acid.

Molecular Properties

Compound Name(2S,4R)-2-amino-4-[3-(ethylamino)-3-oxopropyl]pentanedioic acid
PubChem CID44568312
Molecular FormulaC10H18N2O5
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Name(2S,4R)-2-amino-4-[3-(ethylamino)-3-oxopropyl]pentanedioic acid
SMILESCCNC(=O)CC[C@H](C[C@H](N)C(=O)O)C(=O)O
InChIInChI=1S/C10H18N2O5/c1-2-12-8(13)4-3-6(9(14)15)5-7(11)10(16)17/h6-7H,2-5,11H2,1H3,(H,12,13)(H,14,15)(H,16,17)/t6-,7+/m1/s1
InChIKeyZSSSYSCTVWUGPI-RQJHMYQMSA-N
XLogP-0.59
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 5-0.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

gamma-Glutamylleucine
CID 151023
L-gamma-glutamyl-L-isoleucine
CID 22885096
epsilon-(gamma-Glutamyl)lysine
CID 7015685
(4r)-4-[3-(Methylamino)-3-Oxopropyl]-L-Glutamic Acid
CID 24905647
(4r)-4-{3-[hydroxy(Methyl)amino]-3-Oxopropyl}-L-Glutamic Acid
CID 70789291
gamma-D-glutamyl-meso-diaminopimelic acid
CID 45480617
5-(Cyclohexylamino)-5-oxo-2-propylpentanoic acid
CID 2938780
(2S,4R)-4-(3-Amino-3-oxopropyl)glutamic acid
CID 24905646
(2S,4R)-2-amino-4-[3-oxo-3-(prop-2-ynylamino)propyl]pentanedioic acid
CID 71574743
(2S,4R)-2-amino-4-[3-(dimethylamino)-3-oxopropyl]pentanedioic acid
CID 71574745
(2S,4R)-2-amino-4-[3-(diethylamino)-3-oxopropyl]pentanedioic acid
CID 71574746
(2S,4R)-2-amino-4-(3-oxo-3-piperidin-1-ylpropyl)pentanedioic acid
CID 71574747

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-amino-4-[3-(ethylamino)-3-oxopropyl]pentanedioic acid?
The IUPAC name of (2S,4R)-2-amino-4-[3-(ethylamino)-3-oxopropyl]pentanedioic acid (CID 44568312) is (2S,4R)-2-amino-4-[3-(ethylamino)-3-oxopropyl]pentanedioic acid.
What is the SMILES notation for (2S,4R)-2-amino-4-[3-(ethylamino)-3-oxopropyl]pentanedioic acid?
The canonical SMILES for (2S,4R)-2-amino-4-[3-(ethylamino)-3-oxopropyl]pentanedioic acid is CCNC(=O)CC[C@H](C[C@H](N)C(=O)O)C(=O)O.
What is the InChIKey of (2S,4R)-2-amino-4-[3-(ethylamino)-3-oxopropyl]pentanedioic acid?
The InChIKey is ZSSSYSCTVWUGPI-RQJHMYQMSA-N. The full InChI is InChI=1S/C10H18N2O5/c1-2-12-8(13)4-3-6(9(14)15)5-7(11)10(16)17/h6-7H,2-5,11H2,1H3,(H,12,13)(H,14,15)(H,16,17)/t6-,7+/m1/s1.
What are the key properties of (2S,4R)-2-amino-4-[3-(ethylamino)-3-oxopropyl]pentanedioic acid?
(2S,4R)-2-amino-4-[3-(ethylamino)-3-oxopropyl]pentanedioic acid has a molecular weight of 246.26 g/mol, XLogP of -0.59, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-amino-4-[3-(ethylamino)-3-oxopropyl]pentanedioic acid is sourced from PubChem (CID 44568312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).