(Z)-4-(1-methoxybutan-2-ylamino)-2-methylbut-2-enoic acid

C10H19NO3 — CID 103253451

IUPAC(Z)-4-(1-methoxybutan-2-ylamino)-2-methylbut-2-enoic acid
SMILESCCC(COC)NC/C=C(/C)C(=O)O
InChIInChI=1S/C10H19NO3/c1-4-9(7-14-3)11-6-5-8(2)10(12)13/h5,9,11H,4,6-7H2,1-3H3,(H,12,13)/b8-5-
InChIKeyHVMFQTRZABURFI-YVMONPNESA-N
MW201.27 g/mol
LogP1.03
Rot. Bonds7

About (Z)-4-(1-methoxybutan-2-ylamino)-2-methylbut-2-enoic acid

(Z)-4-(1-methoxybutan-2-ylamino)-2-methylbut-2-enoic acid (PubChem CID 103253451) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is (Z)-4-(1-methoxybutan-2-ylamino)-2-methylbut-2-enoic acid.

Molecular Properties

Compound Name(Z)-4-(1-methoxybutan-2-ylamino)-2-methylbut-2-enoic acid
PubChem CID103253451
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name(Z)-4-(1-methoxybutan-2-ylamino)-2-methylbut-2-enoic acid
SMILESCCC(COC)NC/C=C(/C)C(=O)O
InChIInChI=1S/C10H19NO3/c1-4-9(7-14-3)11-6-5-8(2)10(12)13/h5,9,11H,4,6-7H2,1-3H3,(H,12,13)/b8-5-
InChIKeyHVMFQTRZABURFI-YVMONPNESA-N
XLogP1.03
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-4-(hex-5-yn-3-ylamino)-2-methylbut-2-enoic acid
CID 103264552
methyl (Z)-4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-2-methylbut-2-enoate
CID 106190984
(Z)-4-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]amino]-2-methylbut-2-enoic acid
CID 103262873
methyl (Z)-4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-2-methylbut-2-enoate
CID 106162226
(Z)-2-ethyl-4-(1-methoxypentan-2-ylamino)but-2-enoic acid
CID 103253623
(Z)-4-(3-ethylpentan-2-ylamino)-2-methylbut-2-enoic acid
CID 103250727
methyl (Z)-2-methyl-4-(1-methylsulfanylbutan-2-ylamino)but-2-enoate
CID 103268348
(Z)-2-methyl-4-(4-methylhexan-2-ylamino)but-2-enoic acid
CID 103252380
N-(1-methoxybutan-2-yl)hydroxylamine
CID 54458429
N-[(2R)-1-methoxybutan-2-yl]acetamide
CID 118873564
(E)-5-hydroxy-6-methoxy-2-methylhex-2-enoic acid
CID 87432109
2-ethyl-4-[(1-methoxy-3-methylbutan-2-yl)amino]but-2-enoic acid
CID 103254042

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(1-methoxybutan-2-ylamino)-2-methylbut-2-enoic acid?
The IUPAC name of (Z)-4-(1-methoxybutan-2-ylamino)-2-methylbut-2-enoic acid (CID 103253451) is (Z)-4-(1-methoxybutan-2-ylamino)-2-methylbut-2-enoic acid.
What is the SMILES notation for (Z)-4-(1-methoxybutan-2-ylamino)-2-methylbut-2-enoic acid?
The canonical SMILES for (Z)-4-(1-methoxybutan-2-ylamino)-2-methylbut-2-enoic acid is CCC(COC)NC/C=C(/C)C(=O)O.
What is the InChIKey of (Z)-4-(1-methoxybutan-2-ylamino)-2-methylbut-2-enoic acid?
The InChIKey is HVMFQTRZABURFI-YVMONPNESA-N. The full InChI is InChI=1S/C10H19NO3/c1-4-9(7-14-3)11-6-5-8(2)10(12)13/h5,9,11H,4,6-7H2,1-3H3,(H,12,13)/b8-5-.
What are the key properties of (Z)-4-(1-methoxybutan-2-ylamino)-2-methylbut-2-enoic acid?
(Z)-4-(1-methoxybutan-2-ylamino)-2-methylbut-2-enoic acid has a molecular weight of 201.27 g/mol, XLogP of 1.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(1-methoxybutan-2-ylamino)-2-methylbut-2-enoic acid is sourced from PubChem (CID 103253451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).