(2S)-2,5-diamino-5-oxopentanoic acid;2-methylbut-2-ene;hydrochloride

C10H21ClN2O3 — CID 159202405

IUPAC(2S)-2,5-diamino-5-oxopentanoic acid;2-methylbut-2-ene;hydrochloride
SMILESCC=C(C)C.Cl.NC(=O)CC[C@H](N)C(=O)O
InChIInChI=1S/C5H10N2O3.C5H10.ClH/c6-3(5(9)10)1-2-4(7)8;1-4-5(2)3;/h3H,1-2,6H2,(H2,7,8)(H,9,10);4H,1-3H3;1H/t3-;;/m0../s1
InChIKeyYDQBIJLGSFTYQX-QTNFYWBSSA-N
MW252.74 g/mol
LogP1.06
Rot. Bonds4

About (2S)-2,5-diamino-5-oxopentanoic acid;2-methylbut-2-ene;hydrochloride

(2S)-2,5-diamino-5-oxopentanoic acid;2-methylbut-2-ene;hydrochloride (PubChem CID 159202405) has the molecular formula C10H21ClN2O3 and a molecular weight of 252.74 g/mol. Its IUPAC name is (2S)-2,5-diamino-5-oxopentanoic acid;2-methylbut-2-ene;hydrochloride.

Molecular Properties

Compound Name(2S)-2,5-diamino-5-oxopentanoic acid;2-methylbut-2-ene;hydrochloride
PubChem CID159202405
Molecular FormulaC10H21ClN2O3
Molecular Weight252.74 g/mol
Exact Mass252.12
IUPAC Name(2S)-2,5-diamino-5-oxopentanoic acid;2-methylbut-2-ene;hydrochloride
SMILESCC=C(C)C.Cl.NC(=O)CC[C@H](N)C(=O)O
InChIInChI=1S/C5H10N2O3.C5H10.ClH/c6-3(5(9)10)1-2-4(7)8;1-4-5(2)3;/h3H,1-2,6H2,(H2,7,8)(H,9,10);4H,1-3H3;1H/t3-;;/m0../s1
InChIKeyYDQBIJLGSFTYQX-QTNFYWBSSA-N
XLogP1.06
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-diamino-5-oxopentanoic acid;dihydrochloride
CID 174895279
2,5-bis(15N)(azanyl)-5-oxopentanoic acid
CID 87103617
(2S)-2,5-diamino-5-oxo(413C)pentanoic acid
CID 71309916
2,5-diamino-5-oxopentanoic acid
CID 738
2,5-diamino-5-oxo(513C)pentanoic acid;2-oxo(113C)propanoic acid
CID 157421085
aluminum 2,5-diamino-5-oxopentanoic acid
CID 20532187
2,5-diamino-5-oxopentanoic acid;dihydrate
CID 174966770
(2S)-2,5-diamino-5-oxopentanoic acid;gold
CID 87376233
2,5-diamino-5-oxopentanoic acid;oxalic acid
CID 22114581
(2S)-2,5-diamino-5-oxopentanoic acid;sulfanol
CID 174328641
(2S)-2,6-diamino-6-oxohexanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid
CID 160740452
(2S)-2-aminopentanedioic acid;(2S)-2,5-diamino-5-oxopentanoic acid
CID 22791125

Frequently Asked Questions

What is the IUPAC name of (2S)-2,5-diamino-5-oxopentanoic acid;2-methylbut-2-ene;hydrochloride?
The IUPAC name of (2S)-2,5-diamino-5-oxopentanoic acid;2-methylbut-2-ene;hydrochloride (CID 159202405) is (2S)-2,5-diamino-5-oxopentanoic acid;2-methylbut-2-ene;hydrochloride.
What is the SMILES notation for (2S)-2,5-diamino-5-oxopentanoic acid;2-methylbut-2-ene;hydrochloride?
The canonical SMILES for (2S)-2,5-diamino-5-oxopentanoic acid;2-methylbut-2-ene;hydrochloride is CC=C(C)C.Cl.NC(=O)CC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2,5-diamino-5-oxopentanoic acid;2-methylbut-2-ene;hydrochloride?
The InChIKey is YDQBIJLGSFTYQX-QTNFYWBSSA-N. The full InChI is InChI=1S/C5H10N2O3.C5H10.ClH/c6-3(5(9)10)1-2-4(7)8;1-4-5(2)3;/h3H,1-2,6H2,(H2,7,8)(H,9,10);4H,1-3H3;1H/t3-;;/m0../s1.
What are the key properties of (2S)-2,5-diamino-5-oxopentanoic acid;2-methylbut-2-ene;hydrochloride?
(2S)-2,5-diamino-5-oxopentanoic acid;2-methylbut-2-ene;hydrochloride has a molecular weight of 252.74 g/mol, XLogP of 1.06, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,5-diamino-5-oxopentanoic acid;2-methylbut-2-ene;hydrochloride is sourced from PubChem (CID 159202405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).