(Z)-4-(5-hydroxypentan-2-ylamino)-2-methylbut-2-enoic acid

C10H19NO3 — CID 103259034

IUPAC(Z)-4-(5-hydroxypentan-2-ylamino)-2-methylbut-2-enoic acid
SMILESC/C(=C/CNC(C)CCCO)C(=O)O
InChIInChI=1S/C10H19NO3/c1-8(10(13)14)5-6-11-9(2)4-3-7-12/h5,9,11-12H,3-4,6-7H2,1-2H3,(H,13,14)/b8-5-
InChIKeyCRNSALQPKYRRLQ-YVMONPNESA-N
MW201.27 g/mol
LogP0.77
Rot. Bonds7

About (Z)-4-(5-hydroxypentan-2-ylamino)-2-methylbut-2-enoic acid

(Z)-4-(5-hydroxypentan-2-ylamino)-2-methylbut-2-enoic acid (PubChem CID 103259034) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is (Z)-4-(5-hydroxypentan-2-ylamino)-2-methylbut-2-enoic acid.

Molecular Properties

Compound Name(Z)-4-(5-hydroxypentan-2-ylamino)-2-methylbut-2-enoic acid
PubChem CID103259034
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name(Z)-4-(5-hydroxypentan-2-ylamino)-2-methylbut-2-enoic acid
SMILESC/C(=C/CNC(C)CCCO)C(=O)O
InChIInChI=1S/C10H19NO3/c1-8(10(13)14)5-6-11-9(2)4-3-7-12/h5,9,11-12H,3-4,6-7H2,1-2H3,(H,13,14)/b8-5-
InChIKeyCRNSALQPKYRRLQ-YVMONPNESA-N
XLogP0.77
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-4-(pentylamino)but-2-enoic acid
CID 90992572
(Z)-4-(butylamino)-2-methylbut-2-enoic acid
CID 21470582
4-(5-Hydroxypentan-2-ylamino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 80300771
ethyl (E)-4-(5-hydroxypentan-2-ylamino)but-2-enoate
CID 80549600
4-(Cyclohexylamino)-2-methylbut-2-enoic acid
CID 103230815
(Z)-4-(butan-2-ylamino)-2-methylbut-2-enoic acid
CID 103230979
4-(Cyclopentylamino)-2-methylbut-2-enoic acid
CID 103231060
(Z)-2-methyl-4-(pentan-3-ylamino)but-2-enoic acid
CID 103231095
(Z)-2-methyl-4-(pentylamino)but-2-enoic acid
CID 103231606
(Z)-2-methyl-4-(pentan-2-ylamino)but-2-enoic acid
CID 103231784
3-Methyl-4-(pentan-2-ylamino)but-2-enoic acid
CID 103231799
(Z)-2-ethyl-4-(pentan-2-ylamino)but-2-enoic acid
CID 103231807

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(5-hydroxypentan-2-ylamino)-2-methylbut-2-enoic acid?
The IUPAC name of (Z)-4-(5-hydroxypentan-2-ylamino)-2-methylbut-2-enoic acid (CID 103259034) is (Z)-4-(5-hydroxypentan-2-ylamino)-2-methylbut-2-enoic acid.
What is the SMILES notation for (Z)-4-(5-hydroxypentan-2-ylamino)-2-methylbut-2-enoic acid?
The canonical SMILES for (Z)-4-(5-hydroxypentan-2-ylamino)-2-methylbut-2-enoic acid is C/C(=C/CNC(C)CCCO)C(=O)O.
What is the InChIKey of (Z)-4-(5-hydroxypentan-2-ylamino)-2-methylbut-2-enoic acid?
The InChIKey is CRNSALQPKYRRLQ-YVMONPNESA-N. The full InChI is InChI=1S/C10H19NO3/c1-8(10(13)14)5-6-11-9(2)4-3-7-12/h5,9,11-12H,3-4,6-7H2,1-2H3,(H,13,14)/b8-5-.
What are the key properties of (Z)-4-(5-hydroxypentan-2-ylamino)-2-methylbut-2-enoic acid?
(Z)-4-(5-hydroxypentan-2-ylamino)-2-methylbut-2-enoic acid has a molecular weight of 201.27 g/mol, XLogP of 0.77, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(5-hydroxypentan-2-ylamino)-2-methylbut-2-enoic acid is sourced from PubChem (CID 103259034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).