4-[2-[(2-amino-3-carboxypropanoyl)amino]ethyl]heptanoic acid

C13H24N2O5 — CID 64894801

IUPAC4-[2-[(2-amino-3-carboxypropanoyl)amino]ethyl]heptanoic acid
SMILESCCCC(CCNC(=O)C(N)CC(=O)O)CCC(=O)O
InChIInChI=1S/C13H24N2O5/c1-2-3-9(4-5-11(16)17)6-7-15-13(20)10(14)8-12(18)19/h9-10H,2-8,14H2,1H3,(H,15,20)(H,16,17)(H,18,19)
InChIKeyIMBYMRMGYAPJAC-UHFFFAOYSA-N
MW288.34 g/mol
LogP0.58
Rot. Bonds11

About 4-[2-[(2-amino-3-carboxypropanoyl)amino]ethyl]heptanoic acid

4-[2-[(2-amino-3-carboxypropanoyl)amino]ethyl]heptanoic acid (PubChem CID 64894801) has the molecular formula C13H24N2O5 and a molecular weight of 288.34 g/mol. Its IUPAC name is 4-[2-[(2-amino-3-carboxypropanoyl)amino]ethyl]heptanoic acid.

Molecular Properties

Compound Name4-[2-[(2-amino-3-carboxypropanoyl)amino]ethyl]heptanoic acid
PubChem CID64894801
Molecular FormulaC13H24N2O5
Molecular Weight288.34 g/mol
Exact Mass288.17
IUPAC Name4-[2-[(2-amino-3-carboxypropanoyl)amino]ethyl]heptanoic acid
SMILESCCCC(CCNC(=O)C(N)CC(=O)O)CCC(=O)O
InChIInChI=1S/C13H24N2O5/c1-2-3-9(4-5-11(16)17)6-7-15-13(20)10(14)8-12(18)19/h9-10H,2-8,14H2,1H3,(H,15,20)(H,16,17)(H,18,19)
InChIKeyIMBYMRMGYAPJAC-UHFFFAOYSA-N
XLogP0.58
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-amino-4-(2-carboxyethylamino)-4-oxobutanoic acid
CID 7019995
4-[2-[(2-amino-3,3-dimethylbutanoyl)amino]ethyl]heptanoic acid
CID 77033094
4-[2-[2-(aminomethyl)pentanoylamino]ethyl]heptanoic acid
CID 65228716
4-[2-[(2-amino-3-carboxypropanoyl)amino]ethyl]-5-methylhexanoic acid
CID 64894994
4-[2-[(1-aminocyclopropanecarbonyl)amino]ethyl]heptanoic acid
CID 65459094
4-[2-[2-(carbamoylamino)ethylcarbamoylamino]ethyl]heptanoic acid
CID 83113037
4-[2-[[(2R)-2-aminopentanoyl]amino]ethyl]-5,5-dimethylhexanoic acid
CID 107569825
7-[[(2R)-2-aminopentanoyl]amino]heptanoic acid
CID 103869350
6-[[(2R)-2-aminopentanoyl]amino]hexanoic acid
CID 103868717
4-[2-(but-2-ynoylamino)ethyl]heptanoic acid
CID 107986729
(3S)-3-amino-4-(dodecylamino)-4-oxobutanoic acid
CID 87318913
(3S)-3-amino-4-(octadecylamino)-4-oxobutanoic acid
CID 87319026

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2-amino-3-carboxypropanoyl)amino]ethyl]heptanoic acid?
The IUPAC name of 4-[2-[(2-amino-3-carboxypropanoyl)amino]ethyl]heptanoic acid (CID 64894801) is 4-[2-[(2-amino-3-carboxypropanoyl)amino]ethyl]heptanoic acid.
What is the SMILES notation for 4-[2-[(2-amino-3-carboxypropanoyl)amino]ethyl]heptanoic acid?
The canonical SMILES for 4-[2-[(2-amino-3-carboxypropanoyl)amino]ethyl]heptanoic acid is CCCC(CCNC(=O)C(N)CC(=O)O)CCC(=O)O.
What is the InChIKey of 4-[2-[(2-amino-3-carboxypropanoyl)amino]ethyl]heptanoic acid?
The InChIKey is IMBYMRMGYAPJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5/c1-2-3-9(4-5-11(16)17)6-7-15-13(20)10(14)8-12(18)19/h9-10H,2-8,14H2,1H3,(H,15,20)(H,16,17)(H,18,19).
What are the key properties of 4-[2-[(2-amino-3-carboxypropanoyl)amino]ethyl]heptanoic acid?
4-[2-[(2-amino-3-carboxypropanoyl)amino]ethyl]heptanoic acid has a molecular weight of 288.34 g/mol, XLogP of 0.58, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-amino-3-carboxypropanoyl)amino]ethyl]heptanoic acid is sourced from PubChem (CID 64894801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).