2-amino-2-ethyl-5-(prop-2-enoylamino)pentanoic acid

C10H18N2O3 — CID 175050297

IUPAC2-amino-2-ethyl-5-(prop-2-enoylamino)pentanoic acid
SMILESC=CC(=O)NCCCC(N)(CC)C(=O)O
InChIInChI=1S/C10H18N2O3/c1-3-8(13)12-7-5-6-10(11,4-2)9(14)15/h3H,1,4-7,11H2,2H3,(H,12,13)(H,14,15)
InChIKeyNMFMOPKTPCGADW-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.26
Rot. Bonds7

About 2-amino-2-ethyl-5-(prop-2-enoylamino)pentanoic acid

2-amino-2-ethyl-5-(prop-2-enoylamino)pentanoic acid (PubChem CID 175050297) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-amino-2-ethyl-5-(prop-2-enoylamino)pentanoic acid.

Molecular Properties

Compound Name2-amino-2-ethyl-5-(prop-2-enoylamino)pentanoic acid
PubChem CID175050297
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name2-amino-2-ethyl-5-(prop-2-enoylamino)pentanoic acid
SMILESC=CC(=O)NCCCC(N)(CC)C(=O)O
InChIInChI=1S/C10H18N2O3/c1-3-8(13)12-7-5-6-10(11,4-2)9(14)15/h3H,1,4-7,11H2,2H3,(H,12,13)(H,14,15)
InChIKeyNMFMOPKTPCGADW-UHFFFAOYSA-N
XLogP0.26
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-Amino-5-(prop-2-enoylamino)pentanoic acid
CID 10197981
(2S)-2-amino-5-(prop-2-enoylamino)pentanoic acid
CID 11654969
(2S)-2,5-bis(prop-2-enoylamino)pentanoic acid
CID 53734428
(2S)-5-(dimethylamino)-2-(prop-2-enoylamino)pentanoic acid
CID 54422723
4-Carboxybutyl-dimethyl-[4-(prop-2-enoylamino)butyl]azanium
CID 57539284
2-Amino-5-(2-methylprop-2-enoylamino)pentanoic acid
CID 58271806
2-Ethyl-5-(2-methylprop-2-enoylamino)pentanoic acid
CID 87770365
2-Ethyl-5-(prop-2-enoylamino)pentanoic acid
CID 87771288
(4-Amino-4-carboxybutyl)-dimethyl-prop-2-enoylazanium
CID 87930051
2-Amino-5-(2-methylbut-2-enoylamino)pentanoic acid
CID 123410032
2-(Methylamino)-5-(prop-2-enoylamino)pentanoic acid
CID 132010041
(2S)-2-(methylamino)-5-(prop-2-enoylamino)pentanoic acid
CID 132010042

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-5-(prop-2-enoylamino)pentanoic acid?
The IUPAC name of 2-amino-2-ethyl-5-(prop-2-enoylamino)pentanoic acid (CID 175050297) is 2-amino-2-ethyl-5-(prop-2-enoylamino)pentanoic acid.
What is the SMILES notation for 2-amino-2-ethyl-5-(prop-2-enoylamino)pentanoic acid?
The canonical SMILES for 2-amino-2-ethyl-5-(prop-2-enoylamino)pentanoic acid is C=CC(=O)NCCCC(N)(CC)C(=O)O.
What is the InChIKey of 2-amino-2-ethyl-5-(prop-2-enoylamino)pentanoic acid?
The InChIKey is NMFMOPKTPCGADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-3-8(13)12-7-5-6-10(11,4-2)9(14)15/h3H,1,4-7,11H2,2H3,(H,12,13)(H,14,15).
What are the key properties of 2-amino-2-ethyl-5-(prop-2-enoylamino)pentanoic acid?
2-amino-2-ethyl-5-(prop-2-enoylamino)pentanoic acid has a molecular weight of 214.26 g/mol, XLogP of 0.26, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-5-(prop-2-enoylamino)pentanoic acid is sourced from PubChem (CID 175050297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).