(2S)-5-amino-2-(ethenylamino)pentanoic acid

C7H14N2O2 — CID 172797723

IUPAC(2S)-5-amino-2-(ethenylamino)pentanoic acid
SMILESC=CN[C@@H](CCCN)C(=O)O
InChIInChI=1S/C7H14N2O2/c1-2-9-6(7(10)11)4-3-5-8/h2,6,9H,1,3-5,8H2,(H,10,11)/t6-/m0/s1
InChIKeyQLAFCADMDUXHOK-LURJTMIESA-N
MW158.20 g/mol
LogP-0.09
Rot. Bonds6

About (2S)-5-amino-2-(ethenylamino)pentanoic acid

(2S)-5-amino-2-(ethenylamino)pentanoic acid (PubChem CID 172797723) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is (2S)-5-amino-2-(ethenylamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-2-(ethenylamino)pentanoic acid
PubChem CID172797723
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name(2S)-5-amino-2-(ethenylamino)pentanoic acid
SMILESC=CN[C@@H](CCCN)C(=O)O
InChIInChI=1S/C7H14N2O2/c1-2-9-6(7(10)11)4-3-5-8/h2,6,9H,1,3-5,8H2,(H,10,11)/t6-/m0/s1
InChIKeyQLAFCADMDUXHOK-LURJTMIESA-N
XLogP-0.09
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-5-amino-2-formamidopentanoic acid
CID 174416809
(2S)-5-amino-2-(propan-2-ylamino)pentanoic acid
CID 18639751
5-amino-2-(iodoamino)pentanoic acid
CID 146484863
(2S)-5-amino-2-(carbamothioylamino)pentanoic acid
CID 87236660
(2S)-6-amino-2-(prop-1-enylamino)hexanoic acid
CID 141276887
6-amino-2-(prop-2-enylamino)hexanoic acid
CID 87168024
(2R)-5-amino-2-(carboxymethylamino)pentanoic acid
CID 22810355
5-amino-2-(methylamino)pentanoic acid;hydrochloride
CID 23216389
(2S)-2-(ethenylamino)-4-methylsulfanylbutanoic acid
CID 130301190
(2S)-2-(ethenylamino)-3-sulfanylpropanoic acid
CID 87115082
(2R)-5-amino-2-(ethylamino)pentanoic acid
CID 143752846
(2S)-5-amino-2-(2-phosphonobut-3-enylamino)pentanoic acid
CID 87496174

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-(ethenylamino)pentanoic acid?
The IUPAC name of (2S)-5-amino-2-(ethenylamino)pentanoic acid (CID 172797723) is (2S)-5-amino-2-(ethenylamino)pentanoic acid.
What is the SMILES notation for (2S)-5-amino-2-(ethenylamino)pentanoic acid?
The canonical SMILES for (2S)-5-amino-2-(ethenylamino)pentanoic acid is C=CN[C@@H](CCCN)C(=O)O.
What is the InChIKey of (2S)-5-amino-2-(ethenylamino)pentanoic acid?
The InChIKey is QLAFCADMDUXHOK-LURJTMIESA-N. The full InChI is InChI=1S/C7H14N2O2/c1-2-9-6(7(10)11)4-3-5-8/h2,6,9H,1,3-5,8H2,(H,10,11)/t6-/m0/s1.
What are the key properties of (2S)-5-amino-2-(ethenylamino)pentanoic acid?
(2S)-5-amino-2-(ethenylamino)pentanoic acid has a molecular weight of 158.20 g/mol, XLogP of -0.09, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-2-(ethenylamino)pentanoic acid is sourced from PubChem (CID 172797723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).