2-[[(2S)-2-amino-4-methylpent-4-enoyl]amino]acetic acid

C8H14N2O3 — CID 142050600

IUPAC2-[[(2S)-2-amino-4-methylpent-4-enoyl]amino]acetic acid
SMILESC=C(C)C[C@H](N)C(=O)NCC(=O)O
InChIInChI=1S/C8H14N2O3/c1-5(2)3-6(9)8(13)10-4-7(11)12/h6H,1,3-4,9H2,2H3,(H,10,13)(H,11,12)/t6-/m0/s1
InChIKeyPHNJTDAMCXGHQD-LURJTMIESA-N
MW186.21 g/mol
LogP-0.52
Rot. Bonds5

About 2-[[(2S)-2-amino-4-methylpent-4-enoyl]amino]acetic acid

2-[[(2S)-2-amino-4-methylpent-4-enoyl]amino]acetic acid (PubChem CID 142050600) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-[[(2S)-2-amino-4-methylpent-4-enoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(2S)-2-amino-4-methylpent-4-enoyl]amino]acetic acid
PubChem CID142050600
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name2-[[(2S)-2-amino-4-methylpent-4-enoyl]amino]acetic acid
SMILESC=C(C)C[C@H](N)C(=O)NCC(=O)O
InChIInChI=1S/C8H14N2O3/c1-5(2)3-6(9)8(13)10-4-7(11)12/h6H,1,3-4,9H2,2H3,(H,10,13)(H,11,12)/t6-/m0/s1
InChIKeyPHNJTDAMCXGHQD-LURJTMIESA-N
XLogP-0.52
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.52
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

(2S)-2-amino-N-(cyanomethyl)-4-methylpent-4-enamide;methanesulfonic acid
CID 22893113
2-[[(2R)-2-amino-3-[[(2R)-2-amino-3-(carboxymethylamino)-3-oxopropyl]disulfanyl]propanoyl]amino]acetic acid;dihydrochloride
CID 127239953
2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]acetic acid
CID 3246319
2-[(2-amino-3-selanylpropanoyl)amino]acetic acid
CID 175250934
2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetic acid
CID 6993111
3-amino-4-[[1-[[1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
CID 18246514
(2S)-2-amino-N-(2-methylprop-2-enyl)pentanamide
CID 107570801
2-[[(3S)-3-aminopent-1-en-2-yl]amino]acetic acid
CID 144656113
2-amino-3-methoxy-N-(2-methylprop-2-enyl)propanamide
CID 114617067
2-[[2-amino-3-(2-methylcyclopropyl)propanoyl]amino]acetic acid
CID 163695583
3-amino-4-[(2-ethoxy-2-oxoethyl)amino]-4-oxobutanoic acid
CID 560349
2-[[(2R)-2-amino-3-(2-methyl-4-oxopentan-2-yl)sulfanylpropanoyl]amino]acetic acid
CID 134820474

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-amino-4-methylpent-4-enoyl]amino]acetic acid?
The IUPAC name of 2-[[(2S)-2-amino-4-methylpent-4-enoyl]amino]acetic acid (CID 142050600) is 2-[[(2S)-2-amino-4-methylpent-4-enoyl]amino]acetic acid.
What is the SMILES notation for 2-[[(2S)-2-amino-4-methylpent-4-enoyl]amino]acetic acid?
The canonical SMILES for 2-[[(2S)-2-amino-4-methylpent-4-enoyl]amino]acetic acid is C=C(C)C[C@H](N)C(=O)NCC(=O)O.
What is the InChIKey of 2-[[(2S)-2-amino-4-methylpent-4-enoyl]amino]acetic acid?
The InChIKey is PHNJTDAMCXGHQD-LURJTMIESA-N. The full InChI is InChI=1S/C8H14N2O3/c1-5(2)3-6(9)8(13)10-4-7(11)12/h6H,1,3-4,9H2,2H3,(H,10,13)(H,11,12)/t6-/m0/s1.
What are the key properties of 2-[[(2S)-2-amino-4-methylpent-4-enoyl]amino]acetic acid?
2-[[(2S)-2-amino-4-methylpent-4-enoyl]amino]acetic acid has a molecular weight of 186.21 g/mol, XLogP of -0.52, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-amino-4-methylpent-4-enoyl]amino]acetic acid is sourced from PubChem (CID 142050600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).