ethyl (2S)-6-amino-2-formamidohexanoate

C9H18N2O3 — CID 57231978

IUPACethyl (2S)-6-amino-2-formamidohexanoate
SMILESCCOC(=O)[C@H](CCCCN)NC=O
InChIInChI=1S/C9H18N2O3/c1-2-14-9(13)8(11-7-12)5-3-4-6-10/h7-8H,2-6,10H2,1H3,(H,11,12)/t8-/m0/s1
InChIKeyWLSDKFMYQKEUCW-QMMMGPOBSA-N
MW202.25 g/mol
LogP-0.21
Rot. Bonds8

About ethyl (2S)-6-amino-2-formamidohexanoate

ethyl (2S)-6-amino-2-formamidohexanoate (PubChem CID 57231978) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is ethyl (2S)-6-amino-2-formamidohexanoate.

Molecular Properties

Compound Nameethyl (2S)-6-amino-2-formamidohexanoate
PubChem CID57231978
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Nameethyl (2S)-6-amino-2-formamidohexanoate
SMILESCCOC(=O)[C@H](CCCCN)NC=O
InChIInChI=1S/C9H18N2O3/c1-2-14-9(13)8(11-7-12)5-3-4-6-10/h7-8H,2-6,10H2,1H3,(H,11,12)/t8-/m0/s1
InChIKeyWLSDKFMYQKEUCW-QMMMGPOBSA-N
XLogP-0.21
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-acetamido-6-azaniumylhexanoate
CID 6992697
N-Acetyl-L-lysine methyl ester
CID 2724394
Methyl (2S)-6-amino-2-(((tert-butoxy)carbonyl)amino)hexanoate hydrochloride
CID 18728485
L-Norleucine, N-acetyl-, methyl ester
CID 15610118
methyl (2S)-2-acetamidoheptanoate
CID 57683550
L-Lysine, N2,N6-bis(trifluoroacetyl)-, butyl ester
CID 13783339
N(alpha)-acetylglycyllysyl methyl ester
CID 93061
L-Lysine, N2-acetyl-, methyl ester, hydrochloride (1:1)
CID 2724393
2-Acetamido-6-azaniumylhexanoate
CID 74684610
Glycine, N,N'-(1,6-dioxo-1,6-hexanediyl)bis-, diethyl ester
CID 4175978
methyl (2S)-2-[[(2S)-2-(methylamino)hexanoyl]amino]hexanoate;hydrobromide
CID 73353244
Methyl 2-[(2-cyanoacetyl)amino]hexanoate
CID 118713959

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-6-amino-2-formamidohexanoate?
The IUPAC name of ethyl (2S)-6-amino-2-formamidohexanoate (CID 57231978) is ethyl (2S)-6-amino-2-formamidohexanoate.
What is the SMILES notation for ethyl (2S)-6-amino-2-formamidohexanoate?
The canonical SMILES for ethyl (2S)-6-amino-2-formamidohexanoate is CCOC(=O)[C@H](CCCCN)NC=O.
What is the InChIKey of ethyl (2S)-6-amino-2-formamidohexanoate?
The InChIKey is WLSDKFMYQKEUCW-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-2-14-9(13)8(11-7-12)5-3-4-6-10/h7-8H,2-6,10H2,1H3,(H,11,12)/t8-/m0/s1.
What are the key properties of ethyl (2S)-6-amino-2-formamidohexanoate?
ethyl (2S)-6-amino-2-formamidohexanoate has a molecular weight of 202.25 g/mol, XLogP of -0.21, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-6-amino-2-formamidohexanoate is sourced from PubChem (CID 57231978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).