[(4S)-4-amino-5-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-5-oxopentyl]urea;hydrochloride

C14H26ClN5O4 — CID 154895010

IUPAC[(4S)-4-amino-5-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-5-oxopentyl]urea;hydrochloride
SMILESCN1CC2(CCN(C(=O)[C@@H](N)CCCNC(N)=O)CC2)OC1=O.Cl
InChIInChI=1S/C14H25N5O4.ClH/c1-18-9-14(23-13(18)22)4-7-19(8-5-14)11(20)10(15)3-2-6-17-12(16)21;/h10H,2-9,15H2,1H3,(H3,16,17,21);1H/t10-;/m0./s1
InChIKeyIRHKOEDUOGDWLV-PPHPATTJSA-N
MW363.85 g/mol
LogP-0.37
Rot. Bonds5

About [(4S)-4-amino-5-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-5-oxopentyl]urea;hydrochloride

[(4S)-4-amino-5-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-5-oxopentyl]urea;hydrochloride (PubChem CID 154895010) has the molecular formula C14H26ClN5O4 and a molecular weight of 363.85 g/mol. Its IUPAC name is [(4S)-4-amino-5-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-5-oxopentyl]urea;hydrochloride.

Molecular Properties

Compound Name[(4S)-4-amino-5-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-5-oxopentyl]urea;hydrochloride
PubChem CID154895010
Molecular FormulaC14H26ClN5O4
Molecular Weight363.85 g/mol
Exact Mass363.17
IUPAC Name[(4S)-4-amino-5-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-5-oxopentyl]urea;hydrochloride
SMILESCN1CC2(CCN(C(=O)[C@@H](N)CCCNC(N)=O)CC2)OC1=O.Cl
InChIInChI=1S/C14H25N5O4.ClH/c1-18-9-14(23-13(18)22)4-7-19(8-5-14)11(20)10(15)3-2-6-17-12(16)21;/h10H,2-9,15H2,1H3,(H3,16,17,21);1H/t10-;/m0./s1
InChIKeyIRHKOEDUOGDWLV-PPHPATTJSA-N
XLogP-0.37
TPSA130.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(4S)-4-amino-5-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-5-oxopentyl]urea;hydrochloride?
The IUPAC name of [(4S)-4-amino-5-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-5-oxopentyl]urea;hydrochloride (CID 154895010) is [(4S)-4-amino-5-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-5-oxopentyl]urea;hydrochloride.
What is the SMILES notation for [(4S)-4-amino-5-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-5-oxopentyl]urea;hydrochloride?
The canonical SMILES for [(4S)-4-amino-5-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-5-oxopentyl]urea;hydrochloride is CN1CC2(CCN(C(=O)[C@@H](N)CCCNC(N)=O)CC2)OC1=O.Cl.
What is the InChIKey of [(4S)-4-amino-5-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-5-oxopentyl]urea;hydrochloride?
The InChIKey is IRHKOEDUOGDWLV-PPHPATTJSA-N. The full InChI is InChI=1S/C14H25N5O4.ClH/c1-18-9-14(23-13(18)22)4-7-19(8-5-14)11(20)10(15)3-2-6-17-12(16)21;/h10H,2-9,15H2,1H3,(H3,16,17,21);1H/t10-;/m0./s1.
What are the key properties of [(4S)-4-amino-5-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-5-oxopentyl]urea;hydrochloride?
[(4S)-4-amino-5-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-5-oxopentyl]urea;hydrochloride has a molecular weight of 363.85 g/mol, XLogP of -0.37, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-amino-5-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-5-oxopentyl]urea;hydrochloride is sourced from PubChem (CID 154895010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).