(2S)-2-[butyl(formyl)amino]pent-4-enoic acid

C10H17NO3 — CID 143411974

IUPAC(2S)-2-[butyl(formyl)amino]pent-4-enoic acid
SMILESC=CC[C@@H](C(=O)O)N(C=O)CCCC
InChIInChI=1S/C10H17NO3/c1-3-5-7-11(8-12)9(6-4-2)10(13)14/h4,8-9H,2-3,5-7H2,1H3,(H,13,14)/t9-/m0/s1
InChIKeyDCXPHTXLAZFJLQ-VIFPVBQESA-N
MW199.25 g/mol
LogP1.27
Rot. Bonds8

About (2S)-2-[butyl(formyl)amino]pent-4-enoic acid

(2S)-2-[butyl(formyl)amino]pent-4-enoic acid (PubChem CID 143411974) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is (2S)-2-[butyl(formyl)amino]pent-4-enoic acid.

Molecular Properties

Compound Name(2S)-2-[butyl(formyl)amino]pent-4-enoic acid
PubChem CID143411974
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name(2S)-2-[butyl(formyl)amino]pent-4-enoic acid
SMILESC=CC[C@@H](C(=O)O)N(C=O)CCCC
InChIInChI=1S/C10H17NO3/c1-3-5-7-11(8-12)9(6-4-2)10(13)14/h4,8-9H,2-3,5-7H2,1H3,(H,13,14)/t9-/m0/s1
InChIKeyDCXPHTXLAZFJLQ-VIFPVBQESA-N
XLogP1.27
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[formyl(propyl)amino]hexanoic acid
CID 63689279
2-[ethyl(formyl)amino]hexanoic acid
CID 63687944
(2S)-2-[2-ethylhexanoyl(methyl)amino]pent-4-enoic acid
CID 59423801
2-prop-2-enyloctadecanoic acid
CID 54468209
(3S)-3-[3-(dimethylamino)propyl-formylamino]-4-oxo-4-prop-2-enoxybutanoic acid
CID 88833206
(2S)-2-(N-ethylanilino)pent-4-enoic acid
CID 67199848
2-[formyl(propan-2-yl)amino]heptanoic acid
CID 63687564
ethyl (2S)-2-(dihydroxyamino)pent-4-enoate
CID 87282808
methyl (2S)-2-[[(3S,4S)-3-acetamido-3,4-dimethylhexyl]-formylamino]pent-4-enoate
CID 89293044
N-butyl-N-(1-cyclohexylprop-2-enyl)formamide
CID 19012657
2-(dipentylamino)-5-oxopentanoic acid
CID 19977200
2-[3-(diethylamino)propyl]pent-4-enoic acid
CID 90428630

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[butyl(formyl)amino]pent-4-enoic acid?
The IUPAC name of (2S)-2-[butyl(formyl)amino]pent-4-enoic acid (CID 143411974) is (2S)-2-[butyl(formyl)amino]pent-4-enoic acid.
What is the SMILES notation for (2S)-2-[butyl(formyl)amino]pent-4-enoic acid?
The canonical SMILES for (2S)-2-[butyl(formyl)amino]pent-4-enoic acid is C=CC[C@@H](C(=O)O)N(C=O)CCCC.
What is the InChIKey of (2S)-2-[butyl(formyl)amino]pent-4-enoic acid?
The InChIKey is DCXPHTXLAZFJLQ-VIFPVBQESA-N. The full InChI is InChI=1S/C10H17NO3/c1-3-5-7-11(8-12)9(6-4-2)10(13)14/h4,8-9H,2-3,5-7H2,1H3,(H,13,14)/t9-/m0/s1.
What are the key properties of (2S)-2-[butyl(formyl)amino]pent-4-enoic acid?
(2S)-2-[butyl(formyl)amino]pent-4-enoic acid has a molecular weight of 199.25 g/mol, XLogP of 1.27, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[butyl(formyl)amino]pent-4-enoic acid is sourced from PubChem (CID 143411974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).