(2S)-2-amino-5-[2-[4-[[5-(aminomethyl)furan-3-yl]methoxy]phenyl]ethylamino]-5-oxopentanoic acid

C19H25N3O5 — CID 25203168

IUPAC(2S)-2-amino-5-[2-[4-[[5-(aminomethyl)furan-3-yl]methoxy]phenyl]ethylamino]-5-oxopentanoic acid
SMILESNCc1cc(COc2ccc(CCNC(=O)CC[C@H](N)C(=O)O)cc2)co1
InChIInChI=1S/C19H25N3O5/c20-10-16-9-14(12-27-16)11-26-15-3-1-13(2-4-15)7-8-22-18(23)6-5-17(21)19(24)25/h1-4,9,12,17H,5-8,10-11,20-21H2,(H,22,23)(H,24,25)/t17-/m0/s1
InChIKeyNYIWEBCNBZGUSO-KRWDZBQOSA-N
MW375.43 g/mol
LogP1.17
Rot. Bonds11

About (2S)-2-amino-5-[2-[4-[[5-(aminomethyl)furan-3-yl]methoxy]phenyl]ethylamino]-5-oxopentanoic acid

(2S)-2-amino-5-[2-[4-[[5-(aminomethyl)furan-3-yl]methoxy]phenyl]ethylamino]-5-oxopentanoic acid (PubChem CID 25203168) has the molecular formula C19H25N3O5 and a molecular weight of 375.43 g/mol. Its IUPAC name is (2S)-2-amino-5-[2-[4-[[5-(aminomethyl)furan-3-yl]methoxy]phenyl]ethylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-[2-[4-[[5-(aminomethyl)furan-3-yl]methoxy]phenyl]ethylamino]-5-oxopentanoic acid
PubChem CID25203168
Molecular FormulaC19H25N3O5
Molecular Weight375.43 g/mol
Exact Mass375.18
IUPAC Name(2S)-2-amino-5-[2-[4-[[5-(aminomethyl)furan-3-yl]methoxy]phenyl]ethylamino]-5-oxopentanoic acid
SMILESNCc1cc(COc2ccc(CCNC(=O)CC[C@H](N)C(=O)O)cc2)co1
InChIInChI=1S/C19H25N3O5/c20-10-16-9-14(12-27-16)11-26-15-3-1-13(2-4-15)7-8-22-18(23)6-5-17(21)19(24)25/h1-4,9,12,17H,5-8,10-11,20-21H2,(H,22,23)(H,24,25)/t17-/m0/s1
InChIKeyNYIWEBCNBZGUSO-KRWDZBQOSA-N
XLogP1.17
TPSA140.81 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 51.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-[2-[4-[[5-(aminomethyl)furan-3-yl]methoxy]phenyl]ethylamino]-5-oxopentanoic acid?
The IUPAC name of (2S)-2-amino-5-[2-[4-[[5-(aminomethyl)furan-3-yl]methoxy]phenyl]ethylamino]-5-oxopentanoic acid (CID 25203168) is (2S)-2-amino-5-[2-[4-[[5-(aminomethyl)furan-3-yl]methoxy]phenyl]ethylamino]-5-oxopentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-[2-[4-[[5-(aminomethyl)furan-3-yl]methoxy]phenyl]ethylamino]-5-oxopentanoic acid?
The canonical SMILES for (2S)-2-amino-5-[2-[4-[[5-(aminomethyl)furan-3-yl]methoxy]phenyl]ethylamino]-5-oxopentanoic acid is NCc1cc(COc2ccc(CCNC(=O)CC[C@H](N)C(=O)O)cc2)co1.
What is the InChIKey of (2S)-2-amino-5-[2-[4-[[5-(aminomethyl)furan-3-yl]methoxy]phenyl]ethylamino]-5-oxopentanoic acid?
The InChIKey is NYIWEBCNBZGUSO-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H25N3O5/c20-10-16-9-14(12-27-16)11-26-15-3-1-13(2-4-15)7-8-22-18(23)6-5-17(21)19(24)25/h1-4,9,12,17H,5-8,10-11,20-21H2,(H,22,23)(H,24,25)/t17-/m0/s1.
What are the key properties of (2S)-2-amino-5-[2-[4-[[5-(aminomethyl)furan-3-yl]methoxy]phenyl]ethylamino]-5-oxopentanoic acid?
(2S)-2-amino-5-[2-[4-[[5-(aminomethyl)furan-3-yl]methoxy]phenyl]ethylamino]-5-oxopentanoic acid has a molecular weight of 375.43 g/mol, XLogP of 1.17, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-[2-[4-[[5-(aminomethyl)furan-3-yl]methoxy]phenyl]ethylamino]-5-oxopentanoic acid is sourced from PubChem (CID 25203168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).