5-amino-2-(methylamino)pentanoic acid;hydrochloride

C6H15ClN2O2 — CID 23216389

IUPAC5-amino-2-(methylamino)pentanoic acid;hydrochloride
SMILESCNC(CCCN)C(=O)O.Cl
InChIInChI=1S/C6H14N2O2.ClH/c1-8-5(6(9)10)3-2-4-7;/h5,8H,2-4,7H2,1H3,(H,9,10);1H
InChIKeyOUPNMQRLBAANLP-UHFFFAOYSA-N
MW182.65 g/mol
LogP-0.18
Rot. Bonds5

About 5-amino-2-(methylamino)pentanoic acid;hydrochloride

5-amino-2-(methylamino)pentanoic acid;hydrochloride (PubChem CID 23216389) has the molecular formula C6H15ClN2O2 and a molecular weight of 182.65 g/mol. Its IUPAC name is 5-amino-2-(methylamino)pentanoic acid;hydrochloride.

Molecular Properties

Compound Name5-amino-2-(methylamino)pentanoic acid;hydrochloride
PubChem CID23216389
Molecular FormulaC6H15ClN2O2
Molecular Weight182.65 g/mol
Exact Mass182.08
IUPAC Name5-amino-2-(methylamino)pentanoic acid;hydrochloride
SMILESCNC(CCCN)C(=O)O.Cl
InChIInChI=1S/C6H14N2O2.ClH/c1-8-5(6(9)10)3-2-4-7;/h5,8H,2-4,7H2,1H3,(H,9,10);1H
InChIKeyOUPNMQRLBAANLP-UHFFFAOYSA-N
XLogP-0.18
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-6-amino-2-(methylamino)hexanoic acid;dihydrochloride
CID 22872767
(3S)-6-amino-3-(methylamino)hexan-2-one
CID 59098893
(2S)-6-amino-2-(methylamino)-6-oxohexanoic acid
CID 177277672
6-methyl-2-(methylamino)heptanoic acid
CID 91290146
(2S)-5-amino-2-(methylamino)pentanoic acid;(2S)-2-(methylamino)hexanoic acid;(2S)-2-(methylamino)-4-methylsulfanylbutanoic acid;(2S)-2-(methylamino)pentanoic acid
CID 159581911
(2R)-5-amino-2-(ethylamino)pentanoic acid
CID 143752846
(2S)-5-amino-2-(propan-2-ylamino)pentanoic acid
CID 18639751
5-(diaminomethylideneamino)-2-(methylamino)pentanoic acid;hydrochloride
CID 23193375
5-amino-2-(iodoamino)pentanoic acid
CID 146484863
ethyl 5-amino-2-(methylamino)pentanoate
CID 88589084
(2R)-5-amino-2-(carboxymethylamino)pentanoic acid
CID 22810355
5-(diaminomethylamino)-2-(methylamino)pentanoic acid
CID 134576168

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(methylamino)pentanoic acid;hydrochloride?
The IUPAC name of 5-amino-2-(methylamino)pentanoic acid;hydrochloride (CID 23216389) is 5-amino-2-(methylamino)pentanoic acid;hydrochloride.
What is the SMILES notation for 5-amino-2-(methylamino)pentanoic acid;hydrochloride?
The canonical SMILES for 5-amino-2-(methylamino)pentanoic acid;hydrochloride is CNC(CCCN)C(=O)O.Cl.
What is the InChIKey of 5-amino-2-(methylamino)pentanoic acid;hydrochloride?
The InChIKey is OUPNMQRLBAANLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2.ClH/c1-8-5(6(9)10)3-2-4-7;/h5,8H,2-4,7H2,1H3,(H,9,10);1H.
What are the key properties of 5-amino-2-(methylamino)pentanoic acid;hydrochloride?
5-amino-2-(methylamino)pentanoic acid;hydrochloride has a molecular weight of 182.65 g/mol, XLogP of -0.18, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(methylamino)pentanoic acid;hydrochloride is sourced from PubChem (CID 23216389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).