ethyl 2-amino-5-(carbamoylamino)pentanoate;hydrochloride

C8H18ClN3O3 — CID 74933713

IUPACethyl 2-amino-5-(carbamoylamino)pentanoate;hydrochloride
SMILESCCOC(=O)C(N)CCCNC(N)=O.Cl
InChIInChI=1S/C8H17N3O3.ClH/c1-2-14-7(12)6(9)4-3-5-11-8(10)13;/h6H,2-5,9H2,1H3,(H3,10,11,13);1H
InChIKeyYGVWAVDBHSVUFL-UHFFFAOYSA-N
MW239.70 g/mol
LogP-0.25
Rot. Bonds6

About ethyl 2-amino-5-(carbamoylamino)pentanoate;hydrochloride

ethyl 2-amino-5-(carbamoylamino)pentanoate;hydrochloride (PubChem CID 74933713) has the molecular formula C8H18ClN3O3 and a molecular weight of 239.70 g/mol. Its IUPAC name is ethyl 2-amino-5-(carbamoylamino)pentanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-amino-5-(carbamoylamino)pentanoate;hydrochloride
PubChem CID74933713
Molecular FormulaC8H18ClN3O3
Molecular Weight239.70 g/mol
Exact Mass239.10
IUPAC Nameethyl 2-amino-5-(carbamoylamino)pentanoate;hydrochloride
SMILESCCOC(=O)C(N)CCCNC(N)=O.Cl
InChIInChI=1S/C8H17N3O3.ClH/c1-2-14-7(12)6(9)4-3-5-11-8(10)13;/h6H,2-5,9H2,1H3,(H3,10,11,13);1H
InChIKeyYGVWAVDBHSVUFL-UHFFFAOYSA-N
XLogP-0.25
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-aminohexanoate;hydrochloride
CID 18387178
potassium;[(2S)-2-amino-5-(carbamoylamino)pentanoyl] (2S)-2-amino-5-(carbamoylamino)pentanoate;hydride
CID 174823940
(2S)-2-amino-5-(carbamoylamino)pentanoic acid;hydrochloride
CID 72941546
(2R)-2-amino-5-(carbamoylamino)pentanamide
CID 129140717
(4-amino-5-oxohexyl)urea;ethane
CID 145237808
bis[(2R)-2-amino-5-(carbamoylamino)pentanoyl] butanedioate
CID 174847898
(2S)-3-[(2S)-2-amino-5-(carbamoylamino)pentanoyl]oxy-2-(methylamino)propanoic acid
CID 90823194
phosphono (2S)-2-amino-5-(carbamoylamino)pentanoate
CID 175024515
bis((2S)-2-amino-5-(carbamoylamino)pentanoic acid);zinc
CID 166523784
ethyl (2S)-2,6-diaminohexanoate;hydrate;dihydrochloride
CID 176886199
ethyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;dihydrochloride
CID 45073230
ethyl (2R)-2,6-diaminohexanoate
CID 7018921

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-5-(carbamoylamino)pentanoate;hydrochloride?
The IUPAC name of ethyl 2-amino-5-(carbamoylamino)pentanoate;hydrochloride (CID 74933713) is ethyl 2-amino-5-(carbamoylamino)pentanoate;hydrochloride.
What is the SMILES notation for ethyl 2-amino-5-(carbamoylamino)pentanoate;hydrochloride?
The canonical SMILES for ethyl 2-amino-5-(carbamoylamino)pentanoate;hydrochloride is CCOC(=O)C(N)CCCNC(N)=O.Cl.
What is the InChIKey of ethyl 2-amino-5-(carbamoylamino)pentanoate;hydrochloride?
The InChIKey is YGVWAVDBHSVUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O3.ClH/c1-2-14-7(12)6(9)4-3-5-11-8(10)13;/h6H,2-5,9H2,1H3,(H3,10,11,13);1H.
What are the key properties of ethyl 2-amino-5-(carbamoylamino)pentanoate;hydrochloride?
ethyl 2-amino-5-(carbamoylamino)pentanoate;hydrochloride has a molecular weight of 239.70 g/mol, XLogP of -0.25, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-5-(carbamoylamino)pentanoate;hydrochloride is sourced from PubChem (CID 74933713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).