trans-(3R,4S)-3-(1-acetamido-2-morpholin-4-yl-2-oxoethyl)-4-(diaminomethylideneamino)cyclopentane-1-carboxylic acid

C15H25N5O5 — CID 5278614

IUPACtrans-(3R,4S)-3-(1-acetamido-2-morpholin-4-yl-2-oxoethyl)-4-(diaminomethylideneamino)cyclopentane-1-carboxylic acid
SMILESCC(=O)NC(C(=O)N1CCOCC1)[C@H]1CC(C(=O)O)C[C@@H]1N=C(N)N
InChIInChI=1S/C15H25N5O5/c1-8(21)18-12(13(22)20-2-4-25-5-3-20)10-6-9(14(23)24)7-11(10)19-15(16)17/h9-12H,2-7H2,1H3,(H,18,21)(H,23,24)(H4,16,17,19)/t9?,10-,11-,12?/m0/s1
InChIKeyFSYGUMKCUCGVAO-YECOWLKZSA-N
MW355.40 g/mol
LogP-1.90
Rot. Bonds5

About trans-(3R,4S)-3-(1-acetamido-2-morpholin-4-yl-2-oxoethyl)-4-(diaminomethylideneamino)cyclopentane-1-carboxylic acid

trans-(3R,4S)-3-(1-acetamido-2-morpholin-4-yl-2-oxoethyl)-4-(diaminomethylideneamino)cyclopentane-1-carboxylic acid (PubChem CID 5278614) has the molecular formula C15H25N5O5 and a molecular weight of 355.40 g/mol. Its IUPAC name is trans-(3R,4S)-3-(1-acetamido-2-morpholin-4-yl-2-oxoethyl)-4-(diaminomethylideneamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(3R,4S)-3-(1-acetamido-2-morpholin-4-yl-2-oxoethyl)-4-(diaminomethylideneamino)cyclopentane-1-carboxylic acid
PubChem CID5278614
Molecular FormulaC15H25N5O5
Molecular Weight355.40 g/mol
Exact Mass355.19
IUPAC Nametrans-(3R,4S)-3-(1-acetamido-2-morpholin-4-yl-2-oxoethyl)-4-(diaminomethylideneamino)cyclopentane-1-carboxylic acid
SMILESCC(=O)NC(C(=O)N1CCOCC1)[C@H]1CC(C(=O)O)C[C@@H]1N=C(N)N
InChIInChI=1S/C15H25N5O5/c1-8(21)18-12(13(22)20-2-4-25-5-3-20)10-6-9(14(23)24)7-11(10)19-15(16)17/h9-12H,2-7H2,1H3,(H,18,21)(H,23,24)(H4,16,17,19)/t9?,10-,11-,12?/m0/s1
InChIKeyFSYGUMKCUCGVAO-YECOWLKZSA-N
XLogP-1.90
TPSA160.34 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 5-1.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trans-(3R,4S)-3-(1-acetamido-2-morpholin-4-yl-2-oxoethyl)-4-(diaminomethylideneamino)cyclopentane-1-carboxylic acid?
The IUPAC name of trans-(3R,4S)-3-(1-acetamido-2-morpholin-4-yl-2-oxoethyl)-4-(diaminomethylideneamino)cyclopentane-1-carboxylic acid (CID 5278614) is trans-(3R,4S)-3-(1-acetamido-2-morpholin-4-yl-2-oxoethyl)-4-(diaminomethylideneamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for trans-(3R,4S)-3-(1-acetamido-2-morpholin-4-yl-2-oxoethyl)-4-(diaminomethylideneamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for trans-(3R,4S)-3-(1-acetamido-2-morpholin-4-yl-2-oxoethyl)-4-(diaminomethylideneamino)cyclopentane-1-carboxylic acid is CC(=O)NC(C(=O)N1CCOCC1)[C@H]1CC(C(=O)O)C[C@@H]1N=C(N)N.
What is the InChIKey of trans-(3R,4S)-3-(1-acetamido-2-morpholin-4-yl-2-oxoethyl)-4-(diaminomethylideneamino)cyclopentane-1-carboxylic acid?
The InChIKey is FSYGUMKCUCGVAO-YECOWLKZSA-N. The full InChI is InChI=1S/C15H25N5O5/c1-8(21)18-12(13(22)20-2-4-25-5-3-20)10-6-9(14(23)24)7-11(10)19-15(16)17/h9-12H,2-7H2,1H3,(H,18,21)(H,23,24)(H4,16,17,19)/t9?,10-,11-,12?/m0/s1.
What are the key properties of trans-(3R,4S)-3-(1-acetamido-2-morpholin-4-yl-2-oxoethyl)-4-(diaminomethylideneamino)cyclopentane-1-carboxylic acid?
trans-(3R,4S)-3-(1-acetamido-2-morpholin-4-yl-2-oxoethyl)-4-(diaminomethylideneamino)cyclopentane-1-carboxylic acid has a molecular weight of 355.40 g/mol, XLogP of -1.90, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(3R,4S)-3-(1-acetamido-2-morpholin-4-yl-2-oxoethyl)-4-(diaminomethylideneamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 5278614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).