2-amino-4-(aminomethyl)pentanedioic acid

C6H12N2O4 — CID 22326353

IUPAC2-amino-4-(aminomethyl)pentanedioic acid
SMILESNCC(CC(N)C(=O)O)C(=O)O
InChIInChI=1S/C6H12N2O4/c7-2-3(5(9)10)1-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)
InChIKeyWHIMMDMEFAJCCU-UHFFFAOYSA-N
MW176.17 g/mol
LogP-1.55
Rot. Bonds5

About 2-amino-4-(aminomethyl)pentanedioic acid

2-amino-4-(aminomethyl)pentanedioic acid (PubChem CID 22326353) has the molecular formula C6H12N2O4 and a molecular weight of 176.17 g/mol. Its IUPAC name is 2-amino-4-(aminomethyl)pentanedioic acid.

Molecular Properties

Compound Name2-amino-4-(aminomethyl)pentanedioic acid
PubChem CID22326353
Molecular FormulaC6H12N2O4
Molecular Weight176.17 g/mol
Exact Mass176.08
IUPAC Name2-amino-4-(aminomethyl)pentanedioic acid
SMILESNCC(CC(N)C(=O)O)C(=O)O
InChIInChI=1S/C6H12N2O4/c7-2-3(5(9)10)1-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)
InChIKeyWHIMMDMEFAJCCU-UHFFFAOYSA-N
XLogP-1.55
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 5-1.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-4-ethylpentanedioic acid
CID 57469863
(2S,4R)-2-amino-4-(3-fluoropropyl)pentanedioic acid
CID 88947507
2,3-diaminopropanoic acid
CID 160927094
(2S,4S)-2,5-diamino-4-(18F)fluoropentanoic acid
CID 46207589
(2S)-2-amino-4-(2,2,2-trifluoroethyl)pentanedioic acid
CID 140641389
2,5-diamino-4-sulfanylpentanoic acid
CID 143260048
2,4,6-triaminoheptanedioic acid
CID 71362819
2-(aminomethyl)-3-fluoropropanoic acid
CID 20508331
(2R)-2-(aminomethyl)-3-hydroxypropanoic acid
CID 46936524
(2S,4R)-2-amino-4-(3-methoxy-2-methyl-3-oxopropyl)pentanedioic acid
CID 135735782
(2S)-2-(15N)azanyl-4-methyl(213C)pentanoic acid
CID 71309151
(2S)-2-amino-4-(114C)methyl(514C)pentanoic acid
CID 10240856

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(aminomethyl)pentanedioic acid?
The IUPAC name of 2-amino-4-(aminomethyl)pentanedioic acid (CID 22326353) is 2-amino-4-(aminomethyl)pentanedioic acid.
What is the SMILES notation for 2-amino-4-(aminomethyl)pentanedioic acid?
The canonical SMILES for 2-amino-4-(aminomethyl)pentanedioic acid is NCC(CC(N)C(=O)O)C(=O)O.
What is the InChIKey of 2-amino-4-(aminomethyl)pentanedioic acid?
The InChIKey is WHIMMDMEFAJCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O4/c7-2-3(5(9)10)1-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12).
What are the key properties of 2-amino-4-(aminomethyl)pentanedioic acid?
2-amino-4-(aminomethyl)pentanedioic acid has a molecular weight of 176.17 g/mol, XLogP of -1.55, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(aminomethyl)pentanedioic acid is sourced from PubChem (CID 22326353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).