2-amino-3-hydroxy-2-methyl-3-(2-methylprop-2-enoylamino)pentanoic acid

C10H18N2O4 — CID 54086447

IUPAC2-amino-3-hydroxy-2-methyl-3-(2-methylprop-2-enoylamino)pentanoic acid
SMILESC=C(C)C(=O)NC(O)(CC)C(C)(N)C(=O)O
InChIInChI=1S/C10H18N2O4/c1-5-10(16,9(4,11)8(14)15)12-7(13)6(2)3/h16H,2,5,11H2,1,3-4H3,(H,12,13)(H,14,15)
InChIKeyMQVFJFNGWLAUJU-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.42
Rot. Bonds5

About 2-amino-3-hydroxy-2-methyl-3-(2-methylprop-2-enoylamino)pentanoic acid

2-amino-3-hydroxy-2-methyl-3-(2-methylprop-2-enoylamino)pentanoic acid (PubChem CID 54086447) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-amino-3-hydroxy-2-methyl-3-(2-methylprop-2-enoylamino)pentanoic acid.

Molecular Properties

Compound Name2-amino-3-hydroxy-2-methyl-3-(2-methylprop-2-enoylamino)pentanoic acid
PubChem CID54086447
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name2-amino-3-hydroxy-2-methyl-3-(2-methylprop-2-enoylamino)pentanoic acid
SMILESC=C(C)C(=O)NC(O)(CC)C(C)(N)C(=O)O
InChIInChI=1S/C10H18N2O4/c1-5-10(16,9(4,11)8(14)15)12-7(13)6(2)3/h16H,2,5,11H2,1,3-4H3,(H,12,13)(H,14,15)
InChIKeyMQVFJFNGWLAUJU-UHFFFAOYSA-N
XLogP-0.42
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2,3-dihydroxy-2-(2-methylprop-2-enoylamino)propanoic acid
CID 150718291
N-[3-(aminomethyl)pentan-3-yl]-2-methylprop-2-enamide
CID 87432428
[1-hydroxy-1-(2-methylprop-2-enoylamino)propyl]-trimethylazanium
CID 87578261
[1-hydroxy-1-(2-methylprop-2-enoylamino)propyl]-trimethylazanium chloride
CID 87578260
N-(2-amino-2-methylpropyl)-2-methylprop-2-enamide;2-methylprop-2-enoic acid
CID 159640819
lithium;2-amino-2,3,3-trimethylpentanoic acid;hydride
CID 174387889
[2-(2-methylprop-2-enoylamino)-2-(2-methylprop-2-enoyloxymethyl)butyl] 2-methylprop-2-enoate
CID 154599042
N-(3-ethyl-1-oxopentan-3-yl)-2-methylprop-2-enamide;hydrochloride
CID 173326551
ethyl 2-(tert-butylamino)-2-oxoacetate;ethyl 2-methylprop-2-enoate
CID 19391810
N-[5-(aminomethyl)nonan-5-yl]-2-methylprop-2-enamide
CID 88853060
(2S)-2-amino-2-methylbutanoic acid
CID 6971276
3-[(2-methylprop-2-enoylamino)methyl]pentan-3-ylphosphonic acid
CID 87115726

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxy-2-methyl-3-(2-methylprop-2-enoylamino)pentanoic acid?
The IUPAC name of 2-amino-3-hydroxy-2-methyl-3-(2-methylprop-2-enoylamino)pentanoic acid (CID 54086447) is 2-amino-3-hydroxy-2-methyl-3-(2-methylprop-2-enoylamino)pentanoic acid.
What is the SMILES notation for 2-amino-3-hydroxy-2-methyl-3-(2-methylprop-2-enoylamino)pentanoic acid?
The canonical SMILES for 2-amino-3-hydroxy-2-methyl-3-(2-methylprop-2-enoylamino)pentanoic acid is C=C(C)C(=O)NC(O)(CC)C(C)(N)C(=O)O.
What is the InChIKey of 2-amino-3-hydroxy-2-methyl-3-(2-methylprop-2-enoylamino)pentanoic acid?
The InChIKey is MQVFJFNGWLAUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-5-10(16,9(4,11)8(14)15)12-7(13)6(2)3/h16H,2,5,11H2,1,3-4H3,(H,12,13)(H,14,15).
What are the key properties of 2-amino-3-hydroxy-2-methyl-3-(2-methylprop-2-enoylamino)pentanoic acid?
2-amino-3-hydroxy-2-methyl-3-(2-methylprop-2-enoylamino)pentanoic acid has a molecular weight of 230.26 g/mol, XLogP of -0.42, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxy-2-methyl-3-(2-methylprop-2-enoylamino)pentanoic acid is sourced from PubChem (CID 54086447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).