(2S)-5-amino-2-(dodecylamino)-5-oxopentanoic acid;hydrochloride

C17H35ClN2O3 — CID 174954933

IUPAC(2S)-5-amino-2-(dodecylamino)-5-oxopentanoic acid;hydrochloride
SMILESCCCCCCCCCCCCN[C@@H](CCC(N)=O)C(=O)O.Cl
InChIInChI=1S/C17H34N2O3.ClH/c1-2-3-4-5-6-7-8-9-10-11-14-19-15(17(21)22)12-13-16(18)20;/h15,19H,2-14H2,1H3,(H2,18,20)(H,21,22);1H/t15-;/m0./s1
InChIKeyCIIABPBGYHZNDM-RSAXXLAASA-N
MW350.93 g/mol
LogP3.64
Rot. Bonds16

About (2S)-5-amino-2-(dodecylamino)-5-oxopentanoic acid;hydrochloride

(2S)-5-amino-2-(dodecylamino)-5-oxopentanoic acid;hydrochloride (PubChem CID 174954933) has the molecular formula C17H35ClN2O3 and a molecular weight of 350.93 g/mol. Its IUPAC name is (2S)-5-amino-2-(dodecylamino)-5-oxopentanoic acid;hydrochloride.

Molecular Properties

Compound Name(2S)-5-amino-2-(dodecylamino)-5-oxopentanoic acid;hydrochloride
PubChem CID174954933
Molecular FormulaC17H35ClN2O3
Molecular Weight350.93 g/mol
Exact Mass350.23
IUPAC Name(2S)-5-amino-2-(dodecylamino)-5-oxopentanoic acid;hydrochloride
SMILESCCCCCCCCCCCCN[C@@H](CCC(N)=O)C(=O)O.Cl
InChIInChI=1S/C17H34N2O3.ClH/c1-2-3-4-5-6-7-8-9-10-11-14-19-15(17(21)22)12-13-16(18)20;/h15,19H,2-14H2,1H3,(H2,18,20)(H,21,22);1H/t15-;/m0./s1
InChIKeyCIIABPBGYHZNDM-RSAXXLAASA-N
XLogP3.64
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.93
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-5-amino-2-(octadecylamino)-5-oxopentanoic acid
CID 54197228
(2S)-2-(hexylamino)pentanedioic acid
CID 54122466
2-(octadecylamino)pentanedioic acid
CID 18765951
5-amino-2-(15-aminopentadecylamino)-5-oxopentanoic acid
CID 174209954
2-(dodecylamino)hexanoic acid
CID 139637216
2-(pentylamino)octanoic acid
CID 129188286
sodium;(2S)-2-(hexadecylamino)pentanedioic acid;hydride
CID 174767967
potassium;hydride;(2R)-2-(tetradecylamino)pentanedioic acid
CID 174683925
(2S)-5-amino-2-(4-hydroxybutylamino)-5-oxopentanoic acid
CID 21134302
(2S)-5-amino-2-(4-aminobutylamino)-5-oxopentanoic acid
CID 6453601
5-amino-2-(4-hydroxybutylamino)-5-oxopentanoic acid;butane-1,1-diamine
CID 174410111
(2R)-5-amino-2-(hexylcarbamoylamino)-5-oxopentanoic acid
CID 107830921

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-(dodecylamino)-5-oxopentanoic acid;hydrochloride?
The IUPAC name of (2S)-5-amino-2-(dodecylamino)-5-oxopentanoic acid;hydrochloride (CID 174954933) is (2S)-5-amino-2-(dodecylamino)-5-oxopentanoic acid;hydrochloride.
What is the SMILES notation for (2S)-5-amino-2-(dodecylamino)-5-oxopentanoic acid;hydrochloride?
The canonical SMILES for (2S)-5-amino-2-(dodecylamino)-5-oxopentanoic acid;hydrochloride is CCCCCCCCCCCCN[C@@H](CCC(N)=O)C(=O)O.Cl.
What is the InChIKey of (2S)-5-amino-2-(dodecylamino)-5-oxopentanoic acid;hydrochloride?
The InChIKey is CIIABPBGYHZNDM-RSAXXLAASA-N. The full InChI is InChI=1S/C17H34N2O3.ClH/c1-2-3-4-5-6-7-8-9-10-11-14-19-15(17(21)22)12-13-16(18)20;/h15,19H,2-14H2,1H3,(H2,18,20)(H,21,22);1H/t15-;/m0./s1.
What are the key properties of (2S)-5-amino-2-(dodecylamino)-5-oxopentanoic acid;hydrochloride?
(2S)-5-amino-2-(dodecylamino)-5-oxopentanoic acid;hydrochloride has a molecular weight of 350.93 g/mol, XLogP of 3.64, 16 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-2-(dodecylamino)-5-oxopentanoic acid;hydrochloride is sourced from PubChem (CID 174954933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).